N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C21H25N3O2 — CID 119528368

IUPACN-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)NCC(N)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C21H25N3O2/c1-15-7-9-16(10-8-15)13-24-14-18(11-20(24)25)21(26)23-12-19(22)17-5-3-2-4-6-17/h2-10,18-19H,11-14,22H2,1H3,(H,23,26)
InChIKeyPBAXLGNCZMRNEQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.16
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 119528368) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID119528368
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)NCC(N)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C21H25N3O2/c1-15-7-9-16(10-8-15)13-24-14-18(11-20(24)25)21(26)23-12-19(22)17-5-3-2-4-6-17/h2-10,18-19H,11-14,22H2,1H3,(H,23,26)
InChIKeyPBAXLGNCZMRNEQ-UHFFFAOYSA-N
XLogP2.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 9465398
N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 119528811
N-(2-amino-2-phenylethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119528627
N-(2-amino-2-phenylethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119529290
N-(2-amino-2-phenylethyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119528091
2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119165639
2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 119233557
N-(2-amino-2-phenylethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119528407
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914
2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119223213
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119527204
1-[(4-methylphenyl)methyl]-5-oxo-N-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 55921246

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 119528368) is N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CN2CC(C(=O)NCC(N)c3ccccc3)CC2=O)cc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PBAXLGNCZMRNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-7-9-16(10-8-15)13-24-14-18(11-20(24)25)21(26)23-12-19(22)17-5-3-2-4-6-17/h2-10,18-19H,11-14,22H2,1H3,(H,23,26).
What are the key properties of N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119528368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).