N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride

C20H26ClN3O2 — CID 119740914

IUPACN-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1C.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-4-13(2)18(21)20(25)23-17-12-8-11-16(14(17)3)22-19(24)15-9-6-5-7-10-15;/h5-13,18H,4,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyDOOFVCGCFZGKLZ-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.98
Rot. Bonds6

About N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride

N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride (PubChem CID 119740914) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride
PubChem CID119740914
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1C.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-4-13(2)18(21)20(25)23-17-12-8-11-16(14(17)3)22-19(24)15-9-6-5-7-10-15;/h5-13,18H,4,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyDOOFVCGCFZGKLZ-UHFFFAOYSA-N
XLogP3.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-bromo-2-methylphenyl)-3-methylpentanamide
CID 103832917
(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
CID 61164806
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride
CID 119756450
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylbenzamide
CID 61180394
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide
CID 119793659
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 52986036

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride?
The IUPAC name of N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride (CID 119740914) is N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride?
The canonical SMILES for N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride is CCC(C)C(N)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1C.Cl.
What is the InChIKey of N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride?
The InChIKey is DOOFVCGCFZGKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-4-13(2)18(21)20(25)23-17-12-8-11-16(14(17)3)22-19(24)15-9-6-5-7-10-15;/h5-13,18H,4,21H2,1-3H3,(H,22,24)(H,23,25);1H.
What are the key properties of N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride?
N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride is sourced from PubChem (CID 119740914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).