N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide

C22H25N3O3 — CID 47067221

IUPACN-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCCC2c2ccccc2C)c1
InChIInChI=1S/C22H25N3O3/c1-14-7-4-5-8-20(14)21-9-6-10-25(21)22(28)17-11-18(23-15(2)26)13-19(12-17)24-16(3)27/h4-5,7-8,11-13,21H,6,9-10H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyMKXNRLLHFACLAN-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.89
Rot. Bonds4

About N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide

N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide (PubChem CID 47067221) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide
PubChem CID47067221
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCCC2c2ccccc2C)c1
InChIInChI=1S/C22H25N3O3/c1-14-7-4-5-8-20(14)21-9-6-10-25(21)22(28)17-11-18(23-15(2)26)13-19(12-17)24-16(3)27/h4-5,7-8,11-13,21H,6,9-10H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyMKXNRLLHFACLAN-UHFFFAOYSA-N
XLogP3.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
(3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119721832
(3,4-dimethoxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856046
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119180829
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
(5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 61062384
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822
(1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 97187488
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
(2,4-dihydroxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 25058141
(2,4-dihydroxyphenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 15942101
2-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055195

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide (CID 47067221) is N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCCC2c2ccccc2C)c1.
What is the InChIKey of N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide?
The InChIKey is MKXNRLLHFACLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-7-4-5-8-20(14)21-9-6-10-25(21)22(28)17-11-18(23-15(2)26)13-19(12-17)24-16(3)27/h4-5,7-8,11-13,21H,6,9-10H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide?
N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 47067221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).