1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

C18H28N4O2 — CID 119856274

IUPAC1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(CN2CCCC2C(N)=O)c1
InChIInChI=1S/C18H28N4O2/c1-3-9-18(2,20)17(24)21-14-7-4-6-13(11-14)12-22-10-5-8-15(22)16(19)23/h4,6-7,11,15H,3,5,8-10,12,20H2,1-2H3,(H2,19,23)(H,21,24)
InChIKeyQSWYEIGAJFACDU-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.59
Rot. Bonds7

About 1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119856274) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID119856274
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(CN2CCCC2C(N)=O)c1
InChIInChI=1S/C18H28N4O2/c1-3-9-18(2,20)17(24)21-14-7-4-6-13(11-14)12-22-10-5-8-15(22)16(19)23/h4,6-7,11,15H,3,5,8-10,12,20H2,1-2H3,(H2,19,23)(H,21,24)
InChIKeyQSWYEIGAJFACDU-UHFFFAOYSA-N
XLogP1.59
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide 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

1-[[3-(hexanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068937
(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
(2S)-1-[[3-[(5-ethylfuran-2-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52730298
1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119856251
1-[[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068938
1-[[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56540164
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120643884
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119856261
(2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 124828194
1-[[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55985756
1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984992
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride
CID 119722221

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 119856274) is 1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide is CCCC(C)(N)C(=O)Nc1cccc(CN2CCCC2C(N)=O)c1.
What is the InChIKey of 1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is QSWYEIGAJFACDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-9-18(2,20)17(24)21-14-7-4-6-13(11-14)12-22-10-5-8-15(22)16(19)23/h4,6-7,11,15H,3,5,8-10,12,20H2,1-2H3,(H2,19,23)(H,21,24).
What are the key properties of 1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119856274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).