N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide

C21H24N2O4 — CID 31060671

IUPACN-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-26-18-11-10-16(13-19(18)27-2)17-9-6-12-23(17)20(24)14-22-21(25)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyPSKVESMEDVMJPW-KRWDZBQOSA-N
MW368.43 g/mol
LogP2.80
Rot. Bonds6

About N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide

N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 31060671) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
PubChem CID31060671
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-26-18-11-10-16(13-19(18)27-2)17-9-6-12-23(17)20(24)14-22-21(25)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyPSKVESMEDVMJPW-KRWDZBQOSA-N
XLogP2.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzhydrylamino)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 78841057
3,5-dimethoxy-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264676
3,5-dimethoxy-N-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264677
4-methoxy-3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264640
2-methoxy-N-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzamide
CID 42932893
3,5-dimethyl-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264652
4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 51325119
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 42936298
3-bromo-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 46536557
1-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-naphthalen-2-ylsulfanylethanone
CID 30146061
N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136578451
N-[[4-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 18154932

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide (CID 31060671) is N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide is COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is PSKVESMEDVMJPW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-18-11-10-16(13-19(18)27-2)17-9-6-12-23(17)20(24)14-22-21(25)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 31060671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).