3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide

C21H25N3O3 — CID 119951734

IUPAC3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
SMILESCOc1ccc(CN2CCC(NC(=O)CC(N)c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H25N3O3/c1-27-17-9-7-15(8-10-17)14-24-12-11-19(21(24)26)23-20(25)13-18(22)16-5-3-2-4-6-16/h2-10,18-19H,11-14,22H2,1H3,(H,23,25)
InChIKeyODNCUHOQXHVZCT-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.00
Rot. Bonds7

About 3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide

3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide (PubChem CID 119951734) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
PubChem CID119951734
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
SMILESCOc1ccc(CN2CCC(NC(=O)CC(N)c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H25N3O3/c1-27-17-9-7-15(8-10-17)14-24-12-11-19(21(24)26)23-20(25)13-18(22)16-5-3-2-4-6-16/h2-10,18-19H,11-14,22H2,1H3,(H,23,25)
InChIKeyODNCUHOQXHVZCT-UHFFFAOYSA-N
XLogP2.00
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119328833
(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide
CID 119328850
N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride
CID 119792938
1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119328855
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 126788506
N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119757834
2-(aminomethyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119792966
N-(1-benzyl-2-oxopyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757847
3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119145641
3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951802
2-(2-aminoethyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634264

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide (CID 119951734) is 3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide is COc1ccc(CN2CCC(NC(=O)CC(N)c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide?
The InChIKey is ODNCUHOQXHVZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-17-9-7-15(8-10-17)14-24-12-11-19(21(24)26)23-20(25)13-18(22)16-5-3-2-4-6-16/h2-10,18-19H,11-14,22H2,1H3,(H,23,25).
What are the key properties of 3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide?
3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide has a molecular weight of 367.45 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 119951734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).