N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide

C21H24N2O4 — CID 55697171

IUPACN-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C21H24N2O4/c1-14(24)15-6-4-7-16(12-15)22-21(25)23-11-5-8-19(23)18-13-17(26-2)9-10-20(18)27-3/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3,(H,22,25)
InChIKeyYRUKLDYNCGQHST-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.28
Rot. Bonds5

About N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide

N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 55697171) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID55697171
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C21H24N2O4/c1-14(24)15-6-4-7-16(12-15)22-21(25)23-11-5-8-19(23)18-13-17(26-2)9-10-20(18)27-3/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3,(H,22,25)
InChIKeyYRUKLDYNCGQHST-UHFFFAOYSA-N
XLogP4.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51204890
tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate
CID 55388968
2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 60562617
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 43033960
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
(2R)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800272
(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800271
butyl 4-[[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 55741266
N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 25374945
(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 96998424
N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 55555216
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 46525291

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide (CID 55697171) is N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc(OC)c(C2CCCN2C(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is YRUKLDYNCGQHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(24)15-6-4-7-16(12-15)22-21(25)23-11-5-8-19(23)18-13-17(26-2)9-10-20(18)27-3/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 55697171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).