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

C16H23N3O2 — CID 119321690

IUPACN-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCN2)ccc1C(=O)NC(C)C
InChIInChI=1S/C16H23N3O2/c1-10(2)18-15(20)13-7-6-12(9-11(13)3)19-16(21)14-5-4-8-17-14/h6-7,9-10,14,17H,4-5,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJNIJKIBFFJLFRV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.82
Rot. Bonds4

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

N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119321690) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID119321690
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCN2)ccc1C(=O)NC(C)C
InChIInChI=1S/C16H23N3O2/c1-10(2)18-15(20)13-7-6-12(9-11(13)3)19-16(21)14-5-4-8-17-14/h6-7,9-10,14,17H,4-5,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJNIJKIBFFJLFRV-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119321700
(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740054
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 43233890
N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119316570
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
2-bromo-4-(pyrrolidine-2-carbonylamino)benzoic acid
CID 123473480
N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide
CID 119279232
(2R)-N-(4-acetamido-3-methylphenyl)piperidine-2-carboxamide
CID 103808431
2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 98566354

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (CID 119321690) is N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is Cc1cc(NC(=O)C2CCCN2)ccc1C(=O)NC(C)C.
What is the InChIKey of N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is JNIJKIBFFJLFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)18-15(20)13-7-6-12(9-11(13)3)19-16(21)14-5-4-8-17-14/h6-7,9-10,14,17H,4-5,8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119321690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).