2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide

C16H23N3O2 — CID 79378348

IUPAC2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C2CCNC2C)cc1
InChIInChI=1S/C16H23N3O2/c1-10(2)15(20)18-12-4-6-13(7-5-12)19-16(21)14-8-9-17-11(14)3/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDCTNNRWCZPMCGU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.22
Rot. Bonds4

About 2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide

2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide (PubChem CID 79378348) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
PubChem CID79378348
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C2CCNC2C)cc1
InChIInChI=1S/C16H23N3O2/c1-10(2)15(20)18-12-4-6-13(7-5-12)19-16(21)14-8-9-17-11(14)3/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDCTNNRWCZPMCGU-UHFFFAOYSA-N
XLogP2.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388750
N-(4-bromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382667
2-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 79389311
2-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 79383303
2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidine-3-carboxamide
CID 79389152
3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid
CID 115339958
trans-(1S,2S)-2-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40976557
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382988

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide (CID 79378348) is 2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide is CC(C)C(=O)Nc1ccc(NC(=O)C2CCNC2C)cc1.
What is the InChIKey of 2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is DCTNNRWCZPMCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)15(20)18-12-4-6-13(7-5-12)19-16(21)14-8-9-17-11(14)3/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide?
2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 79378348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).