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

C18H27N3O2 — CID 119667956

IUPACN-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCC(CN)NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C18H27N3O2/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/h6-9,14-15H,3-5,10-12,19H2,1-2H3,(H,20,23)
InChIKeyXWOIFYVIZMIUSZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.98
Rot. Bonds7

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

N-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119667956) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119667956
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCC(CN)NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C18H27N3O2/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/h6-9,14-15H,3-5,10-12,19H2,1-2H3,(H,20,23)
InChIKeyXWOIFYVIZMIUSZ-UHFFFAOYSA-N
XLogP1.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119668556
N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119616744
N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 119668568
N-(3-amino-2-methylpropyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119996455
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
N-(1-amino-4-methylpentan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588603
N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 119665181
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119524316
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119608267
(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
CID 7438121
N-heptan-2-yl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687120
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9393495

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 119667956) is N-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(4-methylphenyl)-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-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XWOIFYVIZMIUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/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/h6-9,14-15H,3-5,10-12,19H2,1-2H3,(H,20,23).
What are the key properties of N-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.98, 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-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119667956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).