N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride

C16H24ClN3O2 — CID 119278245

IUPACN-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride
SMILESCl.NC1(C(=O)NCCNC(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C16H23N3O2.ClH/c17-16(9-5-2-6-10-16)15(21)19-12-11-18-14(20)13-7-3-1-4-8-13;/h1,3-4,7-8H,2,5-6,9-12,17H2,(H,18,20)(H,19,21);1H
InChIKeyLHQPCWIPRFVKEG-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.62
Rot. Bonds5

About N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride

N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride (PubChem CID 119278245) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride
PubChem CID119278245
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride
SMILESCl.NC1(C(=O)NCCNC(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C16H23N3O2.ClH/c17-16(9-5-2-6-10-16)15(21)19-12-11-18-14(20)13-7-3-1-4-8-13;/h1,3-4,7-8H,2,5-6,9-12,17H2,(H,18,20)(H,19,21);1H
InChIKeyLHQPCWIPRFVKEG-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride
CID 119299556
N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride
CID 119742010
N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride
CID 119742072
1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 99699840
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 60867022
3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide
CID 119283135
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride
CID 119295324
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119881589
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119283610
3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide
CID 119315863
1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831631

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride (CID 119278245) is N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride is Cl.NC1(C(=O)NCCNC(=O)c2ccccc2)CCCCC1.
What is the InChIKey of N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride?
The InChIKey is LHQPCWIPRFVKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c17-16(9-5-2-6-10-16)15(21)19-12-11-18-14(20)13-7-3-1-4-8-13;/h1,3-4,7-8H,2,5-6,9-12,17H2,(H,18,20)(H,19,21);1H.
What are the key properties of N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride?
N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119278245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).