3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride

C17H27ClN2O — CID 120609307

IUPAC3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride
SMILESCCC1CCCCC1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-2-13-7-4-6-10-16(13)19-17(20)12-11-14-8-3-5-9-15(14)18;/h3,5,8-9,13,16H,2,4,6-7,10-12,18H2,1H3,(H,19,20);1H
InChIKeyOPNKSMRDZLPNJU-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.71
Rot. Bonds5

About 3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride (PubChem CID 120609307) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride
PubChem CID120609307
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride
SMILESCCC1CCCCC1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-2-13-7-4-6-10-16(13)19-17(20)12-11-14-8-3-5-9-15(14)18;/h3,5,8-9,13,16H,2,4,6-7,10-12,18H2,1H3,(H,19,20);1H
InChIKeyOPNKSMRDZLPNJU-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride
CID 119611792
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 120611060
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
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3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide
CID 79872318
2-(3-aminophenyl)-N-(2-ethylcyclohexyl)acetamide
CID 55083950
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
3-(2-aminophenyl)-N-(3-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 120611790
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CID 107273176
3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide
CID 62406368

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride (CID 120609307) is 3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride is CCC1CCCCC1NC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride?
The InChIKey is OPNKSMRDZLPNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-2-13-7-4-6-10-16(13)19-17(20)12-11-14-8-3-5-9-15(14)18;/h3,5,8-9,13,16H,2,4,6-7,10-12,18H2,1H3,(H,19,20);1H.
What are the key properties of 3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride is sourced from PubChem (CID 120609307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).