N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide

C20H23N3O3 — CID 55697597

IUPACN-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)N2CCCC2c2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-14-19(24)21-16-9-11-17(12-10-16)22-20(25)23-13-5-8-18(23)15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyQDJQOZHVLRMFRH-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.64
Rot. Bonds5

About N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide

N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide (PubChem CID 55697597) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide
PubChem CID55697597
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)N2CCCC2c2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-14-19(24)21-16-9-11-17(12-10-16)22-20(25)23-13-5-8-18(23)15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyQDJQOZHVLRMFRH-UHFFFAOYSA-N
XLogP3.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide
CID 97437174
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
N-(4-methoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60552023
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
N-(4-fluorophenyl)-2-phenylazetidine-1-carboxamide
CID 47034423
methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 51855981
(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551873
(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855796

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide (CID 55697597) is N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide is COCC(=O)Nc1ccc(NC(=O)N2CCCC2c2ccccc2)cc1.
What is the InChIKey of N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide?
The InChIKey is QDJQOZHVLRMFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-14-19(24)21-16-9-11-17(12-10-16)22-20(25)23-13-5-8-18(23)15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide?
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 55697597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).