[1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium

C17H26N3O2+ — CID 7831379

IUPAC[1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium
SMILESC[NH+](C)C1(CNC(=O)NC(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C17H25N3O2/c1-20(2)17(11-7-4-8-12-17)13-18-16(22)19-15(21)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H2,18,19,21,22)/p+1
InChIKeyZDYLFAOURAOWDH-UHFFFAOYSA-O
MW304.41 g/mol
LogP0.97
Rot. Bonds4

About [1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium

[1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium (PubChem CID 7831379) has the molecular formula C17H26N3O2+ and a molecular weight of 304.41 g/mol. Its IUPAC name is [1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium.

Molecular Properties

Compound Name[1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium
PubChem CID7831379
Molecular FormulaC17H26N3O2+
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name[1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium
SMILESC[NH+](C)C1(CNC(=O)NC(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C17H25N3O2/c1-20(2)17(11-7-4-8-12-17)13-18-16(22)19-15(21)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H2,18,19,21,22)/p+1
InChIKeyZDYLFAOURAOWDH-UHFFFAOYSA-O
XLogP0.97
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium
CID 2518064
[1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium
CID 7696515
N-(ethylcarbamoyl)benzamide
CID 23273840
N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762150
N-(propan-2-ylcarbamoyl)benzamide
CID 2986554
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide
CID 3669993
N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119278245
2-benzamidooxane-2-carboxylic acid
CID 141498515
N-(benzylcarbamoyl)pyridine-4-carboxamide
CID 871557
N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide
CID 111463218
N-methylbenzamide
CID 11954
4-benzamido-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331437

Frequently Asked Questions

What is the IUPAC name of [1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium?
The IUPAC name of [1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium (CID 7831379) is [1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium.
What is the SMILES notation for [1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium?
The canonical SMILES for [1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium is C[NH+](C)C1(CNC(=O)NC(=O)c2ccccc2)CCCCC1.
What is the InChIKey of [1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium?
The InChIKey is ZDYLFAOURAOWDH-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25N3O2/c1-20(2)17(11-7-4-8-12-17)13-18-16(22)19-15(21)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H2,18,19,21,22)/p+1.
What are the key properties of [1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium?
[1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium has a molecular weight of 304.41 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium is sourced from PubChem (CID 7831379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).