N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide

C15H21N3O2 — CID 102777565

IUPACN-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)C2NCCC2C)c1
InChIInChI=1S/C15H21N3O2/c1-9-4-5-12(17-11(3)19)8-13(9)18-15(20)14-10(2)6-7-16-14/h4-5,8,10,14,16H,6-7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyNGSYHBXXXRDFSI-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.89
Rot. Bonds3

About N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide

N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102777565) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102777565
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)C2NCCC2C)c1
InChIInChI=1S/C15H21N3O2/c1-9-4-5-12(17-11(3)19)8-13(9)18-15(20)14-10(2)6-7-16-14/h4-5,8,10,14,16H,6-7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyNGSYHBXXXRDFSI-UHFFFAOYSA-N
XLogP1.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091
N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779307
methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102777692
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 102779438
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120620818
3-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 102777058
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620817
N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 114257371
3-methyl-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 102779456
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 102777495
3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 102779250

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide (CID 102777565) is N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide is CC(=O)Nc1ccc(C)c(NC(=O)C2NCCC2C)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is NGSYHBXXXRDFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-4-5-12(17-11(3)19)8-13(9)18-15(20)14-10(2)6-7-16-14/h4-5,8,10,14,16H,6-7H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide?
N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102777565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).