N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide

C19H32N4O2 — CID 119598846

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCNC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H32N4O2/c1-15(2)12-19(3,14-20)22-17(24)10-11-21-18(25)23(4)13-16-8-6-5-7-9-16/h5-9,15H,10-14,20H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyXICFLXBUCATAST-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.10
Rot. Bonds9

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide (PubChem CID 119598846) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
PubChem CID119598846
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCNC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H32N4O2/c1-15(2)12-19(3,14-20)22-17(24)10-11-21-18(25)23(4)13-16-8-6-5-7-9-16/h5-9,15H,10-14,20H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyXICFLXBUCATAST-UHFFFAOYSA-N
XLogP2.10
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide 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

6-Amino-1-benzyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2392273
N-(Benzylcarbamoyl)-leucyl-methylazaalanine-nitrile
CID 50994058
2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide
CID 2496927
3-Benzyl-2,5-dioxo-4,4-dimethylimidazolidine
CID 4601988
N,N'-Benzylidenebisacetamide
CID 23346
(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 23646337
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
N-[(1S)-3-[4-[benzylcarbamoyl(ethyl)amino]-1-piperidyl]-1-phenyl-butyl]cyclobutanecarboxamide
CID 44590750
1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide
CID 3222727
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
2-[benzyl(ethyl)amino]-N-(cyclopentylcarbamoyl)acetamide
CID 8533440
2-[benzyl(methyl)amino]-N-(cyclohexylcarbamoyl)acetamide
CID 16308816

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide (CID 119598846) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide is CC(C)CC(C)(CN)NC(=O)CCNC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
The InChIKey is XICFLXBUCATAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-15(2)12-19(3,14-20)22-17(24)10-11-21-18(25)23(4)13-16-8-6-5-7-9-16/h5-9,15H,10-14,20H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide has a molecular weight of 348.49 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide is sourced from PubChem (CID 119598846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).