N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride

C16H25ClN4O2 — CID 119730381

IUPACN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C2CCNC2)cc1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-11(2)19-16(22)20-14-5-3-12(4-6-14)9-18-15(21)13-7-8-17-10-13;/h3-6,11,13,17H,7-10H2,1-2H3,(H,18,21)(H2,19,20,22);1H
InChIKeyAXLZZMAHWBVWKL-UHFFFAOYSA-N
MW340.86 g/mol
LogP1.86
Rot. Bonds5

About N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride

N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119730381) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119730381
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC NameN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C2CCNC2)cc1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-11(2)19-16(22)20-14-5-3-12(4-6-14)9-18-15(21)13-7-8-17-10-13;/h3-6,11,13,17H,7-10H2,1-2H3,(H,18,21)(H2,19,20,22);1H
InChIKeyAXLZZMAHWBVWKL-UHFFFAOYSA-N
XLogP1.86
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005207
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277382
3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119730353
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119277383
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119864785
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119730375
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119311250
N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119806005
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119730381) is N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride is CC(C)NC(=O)Nc1ccc(CNC(=O)C2CCNC2)cc1.Cl.
What is the InChIKey of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is AXLZZMAHWBVWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c1-11(2)19-16(22)20-14-5-3-12(4-6-14)9-18-15(21)13-7-8-17-10-13;/h3-6,11,13,17H,7-10H2,1-2H3,(H,18,21)(H2,19,20,22);1H.
What are the key properties of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 1.86, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119730381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).