N-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide

C20H36N2O2 — CID 166297319

IUPACN-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide
SMILESCCCC(CCC)C(=O)NCC(C)N(C)C(=O)C1CC12CCCC2
InChIInChI=1S/C20H36N2O2/c1-5-9-16(10-6-2)18(23)21-14-15(3)22(4)19(24)17-13-20(17)11-7-8-12-20/h15-17H,5-14H2,1-4H3,(H,21,23)
InChIKeyAXLJIIFCKNWRKX-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.75
Rot. Bonds9

About N-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide

N-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide (PubChem CID 166297319) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide
PubChem CID166297319
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC NameN-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide
SMILESCCCC(CCC)C(=O)NCC(C)N(C)C(=O)C1CC12CCCC2
InChIInChI=1S/C20H36N2O2/c1-5-9-16(10-6-2)18(23)21-14-15(3)22(4)19(24)17-13-20(17)11-7-8-12-20/h15-17H,5-14H2,1-4H3,(H,21,23)
InChIKeyAXLJIIFCKNWRKX-UHFFFAOYSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid
CID 119209159
N-[(2S)-2-hydroxypropyl]-2-propylpentanamide
CID 10058650
N-[(1-ethylcyclohexyl)methyl]-2-propylpentanamide
CID 118545273
2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid
CID 119955004
2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid
CID 82984628
N-[2-(diethylamino)propyl]-2-ethylbutanamide
CID 78883396
N-(2-cyanopropyl)-2-propylpentanamide
CID 115532839
1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid
CID 82984418
N-(3-amino-3-oxopropyl)-N-methylspiro[2.4]heptane-2-carboxamide
CID 146087450
N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide
CID 82987576
N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide
CID 130725563
1-[methyl(pentan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095900

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide (CID 166297319) is N-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide is CCCC(CCC)C(=O)NCC(C)N(C)C(=O)C1CC12CCCC2.
What is the InChIKey of N-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide?
The InChIKey is AXLJIIFCKNWRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-5-9-16(10-6-2)18(23)21-14-15(3)22(4)19(24)17-13-20(17)11-7-8-12-20/h15-17H,5-14H2,1-4H3,(H,21,23).
What are the key properties of N-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide?
N-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide has a molecular weight of 336.52 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 166297319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).