N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride

C16H24ClN3O2 — CID 120604417

IUPACN-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C16H23N3O2.ClH/c17-10-11-18-16(21)13-8-4-5-9-14(13)19-15(20)12-6-2-1-3-7-12;/h4-5,8-9,12H,1-3,6-7,10-11,17H2,(H,18,21)(H,19,20);1H
InChIKeyPXXABWOBSLDGJK-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.32
Rot. Bonds5

About N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride

N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride (PubChem CID 120604417) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
PubChem CID120604417
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C16H23N3O2.ClH/c17-10-11-18-16(21)13-8-4-5-9-14(13)19-15(20)12-6-2-1-3-7-12;/h4-5,8-9,12H,1-3,6-7,10-11,17H2,(H,18,21)(H,19,20);1H
InChIKeyPXXABWOBSLDGJK-UHFFFAOYSA-N
XLogP2.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 120604476
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120604507
N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide
CID 120604092
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 120603961
N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide
CID 107181192
3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120603479
N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride
CID 120604302
N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120603623
1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 4930342
N-(2-aminoethyl)-2-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]benzamide;hydrochloride
CID 120603377
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
N-[2-(2-aminoethylcarbamoyl)phenyl]-1,4-dioxane-2-carboxamide;hydrochloride
CID 120603354

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride (CID 120604417) is N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride is Cl.NCCNC(=O)c1ccccc1NC(=O)C1CCCCC1.
What is the InChIKey of N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride?
The InChIKey is PXXABWOBSLDGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c17-10-11-18-16(21)13-8-4-5-9-14(13)19-15(20)12-6-2-1-3-7-12;/h4-5,8-9,12H,1-3,6-7,10-11,17H2,(H,18,21)(H,19,20);1H.
What are the key properties of N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride?
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride is sourced from PubChem (CID 120604417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).