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

C17H25ClN4O3 — CID 119666174

IUPACN-(1-aminohexan-2-yl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1.Cl
InChIInChI=1S/C17H24N4O3.ClH/c1-2-3-4-13(11-18)19-17(24)12-5-7-14(8-6-12)21-16(23)10-9-15(22)20-21;/h5-8,13H,2-4,9-11,18H2,1H3,(H,19,24)(H,20,22);1H
InChIKeyNDADZSUWWVEXSO-UHFFFAOYSA-N
MW368.87 g/mol
LogP1.51
Rot. Bonds7

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

N-(1-aminohexan-2-yl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride (PubChem CID 119666174) has the molecular formula C17H25ClN4O3 and a molecular weight of 368.87 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride
PubChem CID119666174
Molecular FormulaC17H25ClN4O3
Molecular Weight368.87 g/mol
Exact Mass368.16
IUPAC NameN-(1-aminohexan-2-yl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1.Cl
InChIInChI=1S/C17H24N4O3.ClH/c1-2-3-4-13(11-18)19-17(24)12-5-7-14(8-6-12)21-16(23)10-9-15(22)20-21;/h5-8,13H,2-4,9-11,18H2,1H3,(H,19,24)(H,20,22);1H
InChIKeyNDADZSUWWVEXSO-UHFFFAOYSA-N
XLogP1.51
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

4-(3,6-dioxodiazinan-1-yl)-N-(2-ethylhexyl)benzamide
CID 47883961
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CID 80697182
N-(1-aminohexan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
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N-(1-aminohexan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 80697948
N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride
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N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119668361
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(3,6-dioxodiazinan-1-yl)benzamide
CID 47783140
N-(1-aminohexan-2-yl)-4-[(carbamoylamino)methyl]benzamide
CID 119665299
N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119667368
N-(1-aminohexan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride (CID 119666174) is N-(1-aminohexan-2-yl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride is CCCCC(CN)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride?
The InChIKey is NDADZSUWWVEXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3.ClH/c1-2-3-4-13(11-18)19-17(24)12-5-7-14(8-6-12)21-16(23)10-9-15(22)20-21;/h5-8,13H,2-4,9-11,18H2,1H3,(H,19,24)(H,20,22);1H.
What are the key properties of N-(1-aminohexan-2-yl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride?
N-(1-aminohexan-2-yl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride has a molecular weight of 368.87 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119666174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).