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

C16H23N3O2 — CID 63005207

IUPACN-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C2CCNC2)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)15(20)19-14-5-3-12(4-6-14)9-18-16(21)13-7-8-17-10-13/h3-6,11,13,17H,7-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJISBNRMSPGHRHH-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.51
Rot. Bonds5

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

N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 63005207) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID63005207
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C2CCNC2)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)15(20)19-14-5-3-12(4-6-14)9-18-16(21)13-7-8-17-10-13/h3-6,11,13,17H,7-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJISBNRMSPGHRHH-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119730381
N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide
CID 119701239
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119701212
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119277383
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277382
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119725791
N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119864785

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide (CID 63005207) is N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide is CC(C)C(=O)Nc1ccc(CNC(=O)C2CCNC2)cc1.
What is the InChIKey of N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is JISBNRMSPGHRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)15(20)19-14-5-3-12(4-6-14)9-18-16(21)13-7-8-17-10-13/h3-6,11,13,17H,7-10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide?
N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.51, 5 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]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).