N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

C18H33N3O2 — CID 119665181

IUPACN-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCC(CN)NC(=O)C1CC(=O)N(C2CCC(C)CC2)C1
InChIInChI=1S/C18H33N3O2/c1-3-4-5-15(11-19)20-18(23)14-10-17(22)21(12-14)16-8-6-13(2)7-9-16/h13-16H,3-12,19H2,1-2H3,(H,20,23)
InChIKeyPVLMICLCQRCEIR-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.05
Rot. Bonds7

About N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119665181) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119665181
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCC(CN)NC(=O)C1CC(=O)N(C2CCC(C)CC2)C1
InChIInChI=1S/C18H33N3O2/c1-3-4-5-15(11-19)20-18(23)14-10-17(22)21(12-14)16-8-6-13(2)7-9-16/h13-16H,3-12,19H2,1-2H3,(H,20,23)
InChIKeyPVLMICLCQRCEIR-UHFFFAOYSA-N
XLogP2.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 119668568
N-(3-amino-2-methylpropyl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997130
N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119585859
N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568934
N-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119667956
N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119668556
(2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119364518
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 43630818
N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119504992
N-(1-aminohexan-2-yl)cyclohexanecarboxamide
CID 80697500
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43469521
N-[2-(aminomethyl)cyclopentyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119600923

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (CID 119665181) is N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is CCCCC(CN)NC(=O)C1CC(=O)N(C2CCC(C)CC2)C1.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PVLMICLCQRCEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-3-4-5-15(11-19)20-18(23)14-10-17(22)21(12-14)16-8-6-13(2)7-9-16/h13-16H,3-12,19H2,1-2H3,(H,20,23).
What are the key properties of N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119665181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).