N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide

C21H24N2O4 — CID 125164313

IUPACN-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(-c2cccc(C(=O)N3CC[C@@H](NC(C)=O)C3)c2)c(OC)c1
InChIInChI=1S/C21H24N2O4/c1-14(24)22-17-9-10-23(13-17)21(25)16-6-4-5-15(11-16)19-8-7-18(26-2)12-20(19)27-3/h4-8,11-12,17H,9-10,13H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyAQVOCYVPAHSQGO-QGZVFWFLSA-N
MW368.43 g/mol
LogP2.72
Rot. Bonds5

About N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide (PubChem CID 125164313) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide
PubChem CID125164313
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(-c2cccc(C(=O)N3CC[C@@H](NC(C)=O)C3)c2)c(OC)c1
InChIInChI=1S/C21H24N2O4/c1-14(24)22-17-9-10-23(13-17)21(25)16-6-4-5-15(11-16)19-8-7-18(26-2)12-20(19)27-3/h4-8,11-12,17H,9-10,13H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyAQVOCYVPAHSQGO-QGZVFWFLSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-1H-pyrrole-2-carboxylate
CID 126425036
N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 118773574
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide
CID 126452342
N-[1-[3-(3-hydroxy-2-pyridinyl)benzoyl]piperidin-3-yl]acetamide
CID 121494225
N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide
CID 125445185
2-methoxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108549181
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548929
N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 124877849
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131920038

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide (CID 125164313) is N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide is COc1ccc(-c2cccc(C(=O)N3CC[C@@H](NC(C)=O)C3)c2)c(OC)c1.
What is the InChIKey of N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide?
The InChIKey is AQVOCYVPAHSQGO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(24)22-17-9-10-23(13-17)21(25)16-6-4-5-15(11-16)19-8-7-18(26-2)12-20(19)27-3/h4-8,11-12,17H,9-10,13H2,1-3H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide has a molecular weight of 368.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 125164313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).