N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride

C15H24ClN3O3 — CID 119586018

IUPACN-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccc(OCC(N)=O)cc1.Cl
InChIInChI=1S/C15H23N3O3.ClH/c1-10(2)7-12(8-16)18-15(20)11-3-5-13(6-4-11)21-9-14(17)19;/h3-6,10,12H,7-9,16H2,1-2H3,(H2,17,19)(H,18,20);1H
InChIKeyXZWZHRDJCKOTMH-UHFFFAOYSA-N
MW329.83 g/mol
LogP1.08
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride (PubChem CID 119586018) has the molecular formula C15H24ClN3O3 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
PubChem CID119586018
Molecular FormulaC15H24ClN3O3
Molecular Weight329.83 g/mol
Exact Mass329.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccc(OCC(N)=O)cc1.Cl
InChIInChI=1S/C15H23N3O3.ClH/c1-10(2)7-12(8-16)18-15(20)11-3-5-13(6-4-11)21-9-14(17)19;/h3-6,10,12H,7-9,16H2,1-2H3,(H2,17,19)(H,18,20);1H
InChIKeyXZWZHRDJCKOTMH-UHFFFAOYSA-N
XLogP1.08
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 104981373
N-(1-amino-4-methylpentan-2-yl)-2-(4-methylphenoxy)acetamide
CID 119585848
N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119586687
(3R)-5-methyl-3-[[4-(2-methylprop-2-enoxy)benzoyl]amino]hexanoic acid
CID 95046614
4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246765
N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide
CID 119588043
4-(2-amino-2-oxoethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750889
N-(1-amino-4-methylpentan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide;hydrochloride
CID 119586549
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119588511

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride (CID 119586018) is N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride is CC(C)CC(CN)NC(=O)c1ccc(OCC(N)=O)cc1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride?
The InChIKey is XZWZHRDJCKOTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3.ClH/c1-10(2)7-12(8-16)18-15(20)11-3-5-13(6-4-11)21-9-14(17)19;/h3-6,10,12H,7-9,16H2,1-2H3,(H2,17,19)(H,18,20);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride is sourced from PubChem (CID 119586018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).