N-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C19H29N3O2 — CID 119667282

IUPACN-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCCCC(CN)NC(=O)C1CCC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C19H29N3O2/c1-3-4-5-16(12-20)21-19(24)17-10-11-18(23)22(17)13-15-8-6-14(2)7-9-15/h6-9,16-17H,3-5,10-13,20H2,1-2H3,(H,21,24)
InChIKeyUEZVBVDKKYOHJN-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.12
Rot. Bonds8

About N-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 119667282) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID119667282
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCCCC(CN)NC(=O)C1CCC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C19H29N3O2/c1-3-4-5-16(12-20)21-19(24)17-10-11-18(23)22(17)13-15-8-6-14(2)7-9-15/h6-9,16-17H,3-5,10-13,20H2,1-2H3,(H,21,24)
InChIKeyUEZVBVDKKYOHJN-UHFFFAOYSA-N
XLogP2.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 119238214
N-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119667956
N-[2-(ethylamino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119507676
(2S)-1-[(4-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 100815825
N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 119528811
ethyl 3-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate
CID 66644659
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
cis-(1S,3R)-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676508
N-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119666450
4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid
CID 119168765
N-(2,3-dimethylcyclohexyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 5092740
(2R)-1-[(4-methylphenyl)methyl]-5-oxo-N-prop-2-enylsulfonylpyrrolidine-2-carboxamide
CID 124514016

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 119667282) is N-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CCCCC(CN)NC(=O)C1CCC(=O)N1Cc1ccc(C)cc1.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UEZVBVDKKYOHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-4-5-16(12-20)21-19(24)17-10-11-18(23)22(17)13-15-8-6-14(2)7-9-15/h6-9,16-17H,3-5,10-13,20H2,1-2H3,(H,21,24).
What are the key properties of N-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.12, 8 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)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 119667282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).