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

C15H21N3O2 — CID 63006806

IUPACN-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C2CCNC2)cc1
InChIInChI=1S/C15H21N3O2/c1-10(2)14(19)17-12-3-5-13(6-4-12)18-15(20)11-7-8-16-9-11/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGEFLIVXSLQUNNN-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.83
Rot. Bonds4

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

N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63006806) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
PubChem CID63006806
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C2CCNC2)cc1
InChIInChI=1S/C15H21N3O2/c1-10(2)14(19)17-12-3-5-13(6-4-12)18-15(20)11-7-8-16-9-11/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGEFLIVXSLQUNNN-UHFFFAOYSA-N
XLogP1.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005207
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119725791
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119711147
N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119714145
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxamide
CID 115159350

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide (CID 63006806) is N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide is CC(C)C(=O)Nc1ccc(NC(=O)C2CCNC2)cc1.
What is the InChIKey of N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is GEFLIVXSLQUNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)14(19)17-12-3-5-13(6-4-12)18-15(20)11-7-8-16-9-11/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide?
N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).