3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide

C17H27N3O2 — CID 119712954

IUPAC3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-11(2)9-14(18)16(22)19-13-8-6-7-12(10-13)15(21)20-17(3,4)5/h6-8,10-11,14H,9,18H2,1-5H3,(H,19,22)(H,20,21)/t14-/m0/s1
InChIKeyQZXHPYUEGKTGCC-AWEZNQCLSA-N
MW305.42 g/mol
LogP2.53
Rot. Bonds5

About 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide

3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide (PubChem CID 119712954) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide
PubChem CID119712954
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-11(2)9-14(18)16(22)19-13-8-6-7-12(10-13)15(21)20-17(3,4)5/h6-8,10-11,14H,9,18H2,1-5H3,(H,19,22)(H,20,21)/t14-/m0/s1
InChIKeyQZXHPYUEGKTGCC-AWEZNQCLSA-N
XLogP2.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide 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

3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide
CID 119870573
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide
CID 119685445
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide
CID 120667141
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
5-[(2-amino-4-methylpentanoyl)amino]benzene-1,3-dicarboxylic acid
CID 61162411
N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
CID 43887304
2-amino-N-(3-ethynylphenyl)-4-methylpentanamide
CID 24698325
2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 24691365
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide?
The IUPAC name of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide (CID 119712954) is 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide.
What is the SMILES notation for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide?
The canonical SMILES for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide is CC(C)C[C@H](N)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide?
The InChIKey is QZXHPYUEGKTGCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11(2)9-14(18)16(22)19-13-8-6-7-12(10-13)15(21)20-17(3,4)5/h6-8,10-11,14H,9,18H2,1-5H3,(H,19,22)(H,20,21)/t14-/m0/s1.
What are the key properties of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide?
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide has a molecular weight of 305.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide is sourced from PubChem (CID 119712954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).