N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C105H207N17O12 — CID 158791008

IUPACN-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)C(C)C)CC1.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCN(C(=O)C(C)C)CC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCN(CC(C)C)CC1.CC(C)CN1CCN(C(=O)C(C)C)CC1.CC(C)CNC(=O)N1CCN(C(=O)C(C)C)CC1.CCCN(CC)C(=O)C(C)C.CCCN(CC)C(=O)CC(C)C
InChIInChI=1S/C13H25N3O2.C13H24N2O2.C13H26N2O.C12H22N2O2.2C12H24N2O.C11H22N2O.C10H21NO.C9H19NO/c1-10(2)9-14-13(18)16-7-5-15(6-8-16)12(17)11(3)4;1-10(2)9-12(16)14-5-7-15(8-6-14)13(17)11(3)4;1-11(2)9-13(16)15-7-5-14(6-8-15)10-12(3)4;1-9(2)11(15)13-5-7-14(8-6-13)12(16)10(3)4;1-10(2)9-13-5-7-14(8-6-13)12(15)11(3)4;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-5-7-11(6-2)10(12)8-9(3)4;1-5-7-10(6-2)9(11)8(3)4/h10-11H,5-9H2,1-4H3,(H,14,18);10-11H,5-9H2,1-4H3;11-12H,5-10H2,1-4H3;9-10H,5-8H2,1-4H3;2*10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3
InChIKeyISGWESXAYHMBQQ-UHFFFAOYSA-N
MW1899.92 g/mol
LogP13.73
Rot. Bonds29

About N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 158791008) has the molecular formula C105H207N17O12 and a molecular weight of 1899.92 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID158791008
Molecular FormulaC105H207N17O12
Molecular Weight1899.92 g/mol
Exact Mass1898.61
IUPAC NameN-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)C(C)C)CC1.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCN(C(=O)C(C)C)CC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCN(CC(C)C)CC1.CC(C)CN1CCN(C(=O)C(C)C)CC1.CC(C)CNC(=O)N1CCN(C(=O)C(C)C)CC1.CCCN(CC)C(=O)C(C)C.CCCN(CC)C(=O)CC(C)C
InChIInChI=1S/C13H25N3O2.C13H24N2O2.C13H26N2O.C12H22N2O2.2C12H24N2O.C11H22N2O.C10H21NO.C9H19NO/c1-10(2)9-14-13(18)16-7-5-15(6-8-16)12(17)11(3)4;1-10(2)9-12(16)14-5-7-15(8-6-14)13(17)11(3)4;1-11(2)9-13(16)15-7-5-14(6-8-15)10-12(3)4;1-9(2)11(15)13-5-7-14(8-6-13)12(16)10(3)4;1-10(2)9-13-5-7-14(8-6-13)12(15)11(3)4;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-5-7-11(6-2)10(12)8-9(3)4;1-5-7-10(6-2)9(11)8(3)4/h10-11H,5-9H2,1-4H3,(H,14,18);10-11H,5-9H2,1-4H3;11-12H,5-10H2,1-4H3;9-10H,5-8H2,1-4H3;2*10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3
InChIKeyISGWESXAYHMBQQ-UHFFFAOYSA-N
XLogP13.73
TPSA268.71 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms134
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001899.92
LogP ≤ 513.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 158791008) is N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CC(C)C(=O)N1CCN(C(=O)C(C)C)CC1.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCN(C(=O)C(C)C)CC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCN(CC(C)C)CC1.CC(C)CN1CCN(C(=O)C(C)C)CC1.CC(C)CNC(=O)N1CCN(C(=O)C(C)C)CC1.CCCN(CC)C(=O)C(C)C.CCCN(CC)C(=O)CC(C)C.
What is the InChIKey of N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is ISGWESXAYHMBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.C13H24N2O2.C13H26N2O.C12H22N2O2.2C12H24N2O.C11H22N2O.C10H21NO.C9H19NO/c1-10(2)9-14-13(18)16-7-5-15(6-8-16)12(17)11(3)4;1-10(2)9-12(16)14-5-7-15(8-6-14)13(17)11(3)4;1-11(2)9-13(16)15-7-5-14(6-8-15)10-12(3)4;1-9(2)11(15)13-5-7-14(8-6-13)12(16)10(3)4;1-10(2)9-13-5-7-14(8-6-13)12(15)11(3)4;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-5-7-11(6-2)10(12)8-9(3)4;1-5-7-10(6-2)9(11)8(3)4/h10-11H,5-9H2,1-4H3,(H,14,18);10-11H,5-9H2,1-4H3;11-12H,5-10H2,1-4H3;9-10H,5-8H2,1-4H3;2*10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 1899.92 g/mol, XLogP of 13.73, 29 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 158791008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).