N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride

C17H27ClN4O2 — CID 119609096

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(N2CCCNC2=O)c1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-12(2)17(3,11-18)20-15(22)13-6-4-7-14(10-13)21-9-5-8-19-16(21)23;/h4,6-7,10,12H,5,8-9,11,18H2,1-3H3,(H,19,23)(H,20,22);1H
InChIKeyRIZPTPIBIBIHLJ-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.13
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride (PubChem CID 119609096) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride
PubChem CID119609096
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(N2CCCNC2=O)c1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-12(2)17(3,11-18)20-15(22)13-6-4-7-14(10-13)21-9-5-8-19-16(21)23;/h4,6-7,10,12H,5,8-9,11,18H2,1-3H3,(H,19,23)(H,20,22);1H
InChIKeyRIZPTPIBIBIHLJ-UHFFFAOYSA-N
XLogP2.13
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride with MolForge

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Related Compounds

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2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]propanoic acid
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2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]acetic acid
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CID 119608584
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3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 119609065
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CID 119459683
3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514860
(2R)-2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]-3-phenylpropanoic acid
CID 119367069
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride (CID 119609096) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1cccc(N2CCCNC2=O)c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride?
The InChIKey is RIZPTPIBIBIHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-12(2)17(3,11-18)20-15(22)13-6-4-7-14(10-13)21-9-5-8-19-16(21)23;/h4,6-7,10,12H,5,8-9,11,18H2,1-3H3,(H,19,23)(H,20,22);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119609096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).