4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride

C18H28ClN3O3 — CID 119810201

IUPAC4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-3-12(2)16(19)18(23)21-14-6-4-13(5-7-14)17(22)20-15-8-10-24-11-9-15;/h4-7,12,15-16H,3,8-11,19H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyRSHBAMJYYJZQMP-UHFFFAOYSA-N
MW369.89 g/mol
LogP2.33
Rot. Bonds6

About 4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride

4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride (PubChem CID 119810201) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is 4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride
PubChem CID119810201
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-3-12(2)16(19)18(23)21-14-6-4-13(5-7-14)17(22)20-15-8-10-24-11-9-15;/h4-7,12,15-16H,3,8-11,19H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyRSHBAMJYYJZQMP-UHFFFAOYSA-N
XLogP2.33
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;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

4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride
CID 119747187
4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide
CID 119338738
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride
CID 119756450
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide
CID 61174601
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 120786530
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
N-[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252836
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide
CID 119747199

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride?
The IUPAC name of 4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride (CID 119810201) is 4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride?
The canonical SMILES for 4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1.Cl.
What is the InChIKey of 4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride?
The InChIKey is RSHBAMJYYJZQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-3-12(2)16(19)18(23)21-14-6-4-13(5-7-14)17(22)20-15-8-10-24-11-9-15;/h4-7,12,15-16H,3,8-11,19H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of 4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride?
4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 119810201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).