N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

C16H23N3O2 — CID 18072900

IUPACN-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C1CCCN1
InChIInChI=1S/C16H23N3O2/c1-3-11(2)18-15(20)12-7-4-5-8-13(12)19-16(21)14-9-6-10-17-14/h4-5,7-8,11,14,17H,3,6,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXQCCPSSFGOMJKG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.91
Rot. Bonds5

About N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 18072900) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID18072900
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C1CCCN1
InChIInChI=1S/C16H23N3O2/c1-3-11(2)18-15(20)12-7-4-5-8-13(12)19-16(21)14-9-6-10-17-14/h4-5,7-8,11,14,17H,3,6,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXQCCPSSFGOMJKG-UHFFFAOYSA-N
XLogP1.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18071622
N-[2-(cyclopropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18073010
N-(2-acetylphenyl)piperidine-2-carboxamide
CID 110462300
ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate
CID 104913687
(2R)-N-[2-(1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
CID 104901084
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
(2R)-N-(2-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 103795046
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923575
(2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide
CID 93360502
N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide
CID 64563985
N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43710720
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706

Frequently Asked Questions

What is the IUPAC name of N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (CID 18072900) is N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is CCC(C)NC(=O)c1ccccc1NC(=O)C1CCCN1.
What is the InChIKey of N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is XQCCPSSFGOMJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-11(2)18-15(20)12-7-4-5-8-13(12)19-16(21)14-9-6-10-17-14/h4-5,7-8,11,14,17H,3,6,9-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 18072900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).