N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride

C17H27ClN2O — CID 120886157

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)C1CCCCC1
InChIInChI=1S/C17H26N2O.ClH/c18-12-14-19(13-11-15-7-3-1-4-8-15)17(20)16-9-5-2-6-10-16;/h1,3-4,7-8,16H,2,5-6,9-14,18H2;1H
InChIKeyHHMVAADKFZXUGF-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.02
Rot. Bonds6

About N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride

N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride (PubChem CID 120886157) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
PubChem CID120886157
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)C1CCCCC1
InChIInChI=1S/C17H26N2O.ClH/c18-12-14-19(13-11-15-7-3-1-4-8-15)17(20)16-9-5-2-6-10-16;/h1,3-4,7-8,16H,2,5-6,9-14,18H2;1H
InChIKeyHHMVAADKFZXUGF-UHFFFAOYSA-N
XLogP3.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride
CID 120884901
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 120885269
3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 120885796
N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120884310
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide;dihydrochloride
CID 120884651
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 120884652
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 120886842
2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
CID 119347597
N-(2-aminoethyl)-2-cyclohexyl-N-(2-phenylethyl)acetamide
CID 120886160
4-N-(2-aminoethyl)-1-N,1-N-dimethyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 120885596

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride (CID 120886157) is N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)C1CCCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride?
The InChIKey is HHMVAADKFZXUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c18-12-14-19(13-11-15-7-3-1-4-8-15)17(20)16-9-5-2-6-10-16;/h1,3-4,7-8,16H,2,5-6,9-14,18H2;1H.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride?
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 120886157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).