N-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride

C17H25ClN4O3 — CID 119641104

IUPACN-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1.Cl
InChIInChI=1S/C17H24N4O3.ClH/c1-3-17(18,4-2)11-19-16(24)12-5-7-13(8-6-12)21-15(23)10-9-14(22)20-21;/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,24)(H,20,22);1H
InChIKeyWJTLHRHYXIHENQ-UHFFFAOYSA-N
MW368.87 g/mol
LogP1.51
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride

N-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride (PubChem CID 119641104) has the molecular formula C17H25ClN4O3 and a molecular weight of 368.87 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride
PubChem CID119641104
Molecular FormulaC17H25ClN4O3
Molecular Weight368.87 g/mol
Exact Mass368.16
IUPAC NameN-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1.Cl
InChIInChI=1S/C17H24N4O3.ClH/c1-3-17(18,4-2)11-19-16(24)12-5-7-13(8-6-12)21-15(23)10-9-14(22)20-21;/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,24)(H,20,22);1H
InChIKeyWJTLHRHYXIHENQ-UHFFFAOYSA-N
XLogP1.51
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119641489
4-(3,6-dioxodiazinan-1-yl)-N-(2-ethylhexyl)benzamide
CID 47883961
2-[[4-(3,6-dioxodiazinan-1-yl)benzoyl]-methylamino]acetic acid
CID 119346358
1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione
CID 164909792
N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119641849
N-(2-amino-2-ethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119641088
N-(2-amino-2-ethylbutyl)naphthalene-2-carboxamide
CID 81485257
N-(2-amino-2-ethylbutyl)-4-(dimethylamino)benzamide
CID 115305742
N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
CID 81482515
N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
CID 119640769
4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 47887275
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(3,6-dioxodiazinan-1-yl)benzamide
CID 47783140

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride (CID 119641104) is N-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride is CCC(N)(CC)CNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride?
The InChIKey is WJTLHRHYXIHENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3.ClH/c1-3-17(18,4-2)11-19-16(24)12-5-7-13(8-6-12)21-15(23)10-9-14(22)20-21;/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,24)(H,20,22);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride has a molecular weight of 368.87 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119641104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).