2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide

C20H23N3O3 — CID 24596121

IUPAC2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
SMILESCOc1cccc(C2CCCN2CC(=O)NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H23N3O3/c1-26-17-10-5-7-15(13-17)18-11-6-12-23(18)14-19(24)22-20(25)21-16-8-3-2-4-9-16/h2-5,7-10,13,18H,6,11-12,14H2,1H3,(H2,21,22,24,25)
InChIKeyXJZSMCQPRTZSBS-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.18
Rot. Bonds5

About 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide

2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide (PubChem CID 24596121) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
PubChem CID24596121
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
SMILESCOc1cccc(C2CCCN2CC(=O)NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H23N3O3/c1-26-17-10-5-7-15(13-17)18-11-6-12-23(18)14-19(24)22-20(25)21-16-8-3-2-4-9-16/h2-5,7-10,13,18H,6,11-12,14H2,1H3,(H2,21,22,24,25)
InChIKeyXJZSMCQPRTZSBS-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41415749
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 17445025
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 41415745
N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 55498802
N-(3-fluorophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313328
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41269116
N-[2-(difluoromethoxy)phenyl]-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313371
N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 17434998
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
N-(benzylcarbamoyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 26648081
N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41416275

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide (CID 24596121) is 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide is COc1cccc(C2CCCN2CC(=O)NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide?
The InChIKey is XJZSMCQPRTZSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-17-10-5-7-15(13-17)18-11-6-12-23(18)14-19(24)22-20(25)21-16-8-3-2-4-9-16/h2-5,7-10,13,18H,6,11-12,14H2,1H3,(H2,21,22,24,25).
What are the key properties of 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide?
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 24596121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).