N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide

C27H28N2O3 — CID 55956031

IUPACN-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide
SMILESCOc1cccc(CC2CCCN2C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C27H28N2O3/c1-32-25-11-5-7-20(18-25)17-24-10-6-16-29(24)26(30)19-28-27(31)23-14-12-22(13-15-23)21-8-3-2-4-9-21/h2-5,7-9,11-15,18,24H,6,10,16-17,19H2,1H3,(H,28,31)
InChIKeyQJLWISSCTKNOHZ-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.33
Rot. Bonds7

About N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide

N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide (PubChem CID 55956031) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide
PubChem CID55956031
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide
SMILESCOc1cccc(CC2CCCN2C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C27H28N2O3/c1-32-25-11-5-7-20(18-25)17-24-10-6-16-29(24)26(30)19-28-27(31)23-14-12-22(13-15-23)21-8-3-2-4-9-21/h2-5,7-9,11-15,18,24H,6,10,16-17,19H2,1H3,(H,28,31)
InChIKeyQJLWISSCTKNOHZ-UHFFFAOYSA-N
XLogP4.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 55955388
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-4-bromobenzamide
CID 112809261
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide
CID 78839778
N-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]benzamide
CID 47066258
4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 51325119
N-[3-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide
CID 55898161
N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 55955262
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide
CID 51338008
3,4-dichloro-N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 60544525
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 66262478
(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 96998424
(2R)-N-cyclopropyl-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbothioamide
CID 97000744

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide (CID 55956031) is N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide is COc1cccc(CC2CCCN2C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is QJLWISSCTKNOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-32-25-11-5-7-20(18-25)17-24-10-6-16-29(24)26(30)19-28-27(31)23-14-12-22(13-15-23)21-8-3-2-4-9-21/h2-5,7-9,11-15,18,24H,6,10,16-17,19H2,1H3,(H,28,31).
What are the key properties of N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide?
N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 428.53 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 55956031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).