N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

C16H23N3O2 — CID 119283635

IUPACN-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)19-14(20)11-6-4-7-12(10-11)18-15(21)13-8-5-9-17-13/h4,6-7,10,13,17H,5,8-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyVHDVKKKKJJATNC-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.91
Rot. Bonds3

About N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119283635) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID119283635
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)19-14(20)11-6-4-7-12(10-11)18-15(21)13-8-5-9-17-13/h4,6-7,10,13,17H,5,8-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyVHDVKKKKJJATNC-UHFFFAOYSA-N
XLogP1.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
(2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119703073
N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283628
3-(azepane-2-carbonylamino)benzoic acid
CID 64563826
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
(2S)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712064
(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712042
(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269061

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (CID 119283635) is N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is CC(C)(C)NC(=O)c1cccc(NC(=O)C2CCCN2)c1.
What is the InChIKey of N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is VHDVKKKKJJATNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)19-14(20)11-6-4-7-12(10-11)18-15(21)13-8-5-9-17-13/h4,6-7,10,13,17H,5,8-9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119283635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).