3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide

C77H150N6O12 — CID 158434126

IUPAC3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide
SMILESC=C(C)CC(OCCC)C(=O)NC(C)C.CCCOC(CC(C)(C)C)C(=O)NC(C)C.CCCOC(CC1CC1)C(=O)NC(C)C.CCCOC(CC1CC1C)C(=O)NC(C)C.CCCOC(CC1CCC1)C(=O)NC(C)C.CCCOC(CC1CCCC1)C(=O)NC(C)C
InChIInChI=1S/C14H27NO2.2C13H25NO2.C13H27NO2.2C12H23NO2/c1-4-9-17-13(14(16)15-11(2)3)10-12-7-5-6-8-12;1-5-6-16-12(8-11-7-10(11)4)13(15)14-9(2)3;1-4-8-16-12(9-11-6-5-7-11)13(15)14-10(2)3;1-7-8-16-11(9-13(4,5)6)12(15)14-10(2)3;1-4-7-15-11(8-10-5-6-10)12(14)13-9(2)3;1-6-7-15-11(8-9(2)3)12(14)13-10(4)5/h11-13H,4-10H2,1-3H3,(H,15,16);9-12H,5-8H2,1-4H3,(H,14,15);10-12H,4-9H2,1-3H3,(H,14,15);10-11H,7-9H2,1-6H3,(H,14,15);9-11H,4-8H2,1-3H3,(H,13,14);10-11H,2,6-8H2,1,3-5H3,(H,13,14)
InChIKeyHCAAMLKMCYIXGQ-UHFFFAOYSA-N
MW1352.08 g/mol
LogP14.86
Rot. Bonds41

About 3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide

3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide (PubChem CID 158434126) has the molecular formula C77H150N6O12 and a molecular weight of 1352.08 g/mol. Its IUPAC name is 3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide.

Molecular Properties

Compound Name3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide
PubChem CID158434126
Molecular FormulaC77H150N6O12
Molecular Weight1352.08 g/mol
Exact Mass1351.13
IUPAC Name3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide
SMILESC=C(C)CC(OCCC)C(=O)NC(C)C.CCCOC(CC(C)(C)C)C(=O)NC(C)C.CCCOC(CC1CC1)C(=O)NC(C)C.CCCOC(CC1CC1C)C(=O)NC(C)C.CCCOC(CC1CCC1)C(=O)NC(C)C.CCCOC(CC1CCCC1)C(=O)NC(C)C
InChIInChI=1S/C14H27NO2.2C13H25NO2.C13H27NO2.2C12H23NO2/c1-4-9-17-13(14(16)15-11(2)3)10-12-7-5-6-8-12;1-5-6-16-12(8-11-7-10(11)4)13(15)14-9(2)3;1-4-8-16-12(9-11-6-5-7-11)13(15)14-10(2)3;1-7-8-16-11(9-13(4,5)6)12(15)14-10(2)3;1-4-7-15-11(8-10-5-6-10)12(14)13-9(2)3;1-6-7-15-11(8-9(2)3)12(14)13-10(4)5/h11-13H,4-10H2,1-3H3,(H,15,16);9-12H,5-8H2,1-4H3,(H,14,15);10-12H,4-9H2,1-3H3,(H,14,15);10-11H,7-9H2,1-6H3,(H,14,15);9-11H,4-8H2,1-3H3,(H,13,14);10-11H,2,6-8H2,1,3-5H3,(H,13,14)
InChIKeyHCAAMLKMCYIXGQ-UHFFFAOYSA-N
XLogP14.86
TPSA229.98 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds41
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001352.08
LogP ≤ 514.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide?
The IUPAC name of 3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide (CID 158434126) is 3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide.
What is the SMILES notation for 3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide?
The canonical SMILES for 3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide is C=C(C)CC(OCCC)C(=O)NC(C)C.CCCOC(CC(C)(C)C)C(=O)NC(C)C.CCCOC(CC1CC1)C(=O)NC(C)C.CCCOC(CC1CC1C)C(=O)NC(C)C.CCCOC(CC1CCC1)C(=O)NC(C)C.CCCOC(CC1CCCC1)C(=O)NC(C)C.
What is the InChIKey of 3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide?
The InChIKey is HCAAMLKMCYIXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.2C13H25NO2.C13H27NO2.2C12H23NO2/c1-4-9-17-13(14(16)15-11(2)3)10-12-7-5-6-8-12;1-5-6-16-12(8-11-7-10(11)4)13(15)14-9(2)3;1-4-8-16-12(9-11-6-5-7-11)13(15)14-10(2)3;1-7-8-16-11(9-13(4,5)6)12(15)14-10(2)3;1-4-7-15-11(8-10-5-6-10)12(14)13-9(2)3;1-6-7-15-11(8-9(2)3)12(14)13-10(4)5/h11-13H,4-10H2,1-3H3,(H,15,16);9-12H,5-8H2,1-4H3,(H,14,15);10-12H,4-9H2,1-3H3,(H,14,15);10-11H,7-9H2,1-6H3,(H,14,15);9-11H,4-8H2,1-3H3,(H,13,14);10-11H,2,6-8H2,1,3-5H3,(H,13,14).
What are the key properties of 3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide?
3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide has a molecular weight of 1352.08 g/mol, XLogP of 14.86, 41 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopentyl-N-propan-2-yl-2-propoxypropanamide;3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide;4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide;3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide;4-methyl-N-propan-2-yl-2-propoxypent-4-enamide is sourced from PubChem (CID 158434126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).