N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H29N3O3 — CID 119588786

IUPACN-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2CC(C(=O)NC(CN)CC(C)C)CC2=O)cc1
InChIInChI=1S/C19H29N3O3/c1-13(2)8-16(10-20)21-19(24)15-9-18(23)22(12-15)11-14-4-6-17(25-3)7-5-14/h4-7,13,15-16H,8-12,20H2,1-3H3,(H,21,24)
InChIKeyNNOOYQRHNYWAOK-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.53
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 119588786) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID119588786
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2CC(C(=O)NC(CN)CC(C)C)CC2=O)cc1
InChIInChI=1S/C19H29N3O3/c1-13(2)8-16(10-20)21-19(24)15-9-18(23)22(12-15)11-14-4-6-17(25-3)7-5-14/h4-7,13,15-16H,8-12,20H2,1-3H3,(H,21,24)
InChIKeyNNOOYQRHNYWAOK-UHFFFAOYSA-N
XLogP1.53
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119586792
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95280870
N-(1-amino-4-methylpentan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588603
(3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95301966
N-(1-amino-4-methylpentan-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119588084
N-(1-amino-4-methylpentan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588613
(3R)-1-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 97351337
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4126186
2-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119197288
N-[3-(aminomethyl)pentan-3-yl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119572050
N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568459

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 119588786) is N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CN2CC(C(=O)NC(CN)CC(C)C)CC2=O)cc1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NNOOYQRHNYWAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(2)8-16(10-20)21-19(24)15-9-18(23)22(12-15)11-14-4-6-17(25-3)7-5-14/h4-7,13,15-16H,8-12,20H2,1-3H3,(H,21,24).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119588786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).