4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride

C16H25ClN4O3 — CID 119713159

IUPAC4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1.Cl
InChIInChI=1S/C16H24N4O3.ClH/c1-3-10(2)14(18)16(23)19-8-11-4-6-12(7-5-11)15(22)20-9-13(17)21;/h4-7,10,14H,3,8-9,18H2,1-2H3,(H2,17,21)(H,19,23)(H,20,22);1H
InChIKeyCGJTVGFXDDDHPX-UHFFFAOYSA-N
MW356.85 g/mol
LogP0.31
Rot. Bonds8

About 4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride

4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride (PubChem CID 119713159) has the molecular formula C16H25ClN4O3 and a molecular weight of 356.85 g/mol. Its IUPAC name is 4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
PubChem CID119713159
Molecular FormulaC16H25ClN4O3
Molecular Weight356.85 g/mol
Exact Mass356.16
IUPAC Name4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1.Cl
InChIInChI=1S/C16H24N4O3.ClH/c1-3-10(2)14(18)16(23)19-8-11-4-6-12(7-5-11)15(22)20-9-13(17)21;/h4-7,10,14H,3,8-9,18H2,1-2H3,(H2,17,21)(H,19,23)(H,20,22);1H
InChIKeyCGJTVGFXDDDHPX-UHFFFAOYSA-N
XLogP0.31
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide
CID 119713160
4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
CID 119713155
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119747912
methyl N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]carbamate
CID 110474058
2-amino-3-methyl-N-[(4-nitrophenyl)methyl]pentanamide;hydrochloride
CID 119708450
2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride
CID 119714373
N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide
CID 46494464
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438
2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
CID 119748877
2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258507
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride?
The IUPAC name of 4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride (CID 119713159) is 4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride is CCC(C)C(N)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1.Cl.
What is the InChIKey of 4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride?
The InChIKey is CGJTVGFXDDDHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3.ClH/c1-3-10(2)14(18)16(23)19-8-11-4-6-12(7-5-11)15(22)20-9-13(17)21;/h4-7,10,14H,3,8-9,18H2,1-2H3,(H2,17,21)(H,19,23)(H,20,22);1H.
What are the key properties of 4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride?
4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 0.31, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride is sourced from PubChem (CID 119713159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).