4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide

C17H26N2O2 — CID 43748803

IUPAC4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide
SMILESCCOc1ccc(C(C)NC2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-21-16-10-6-13(7-11-16)12(2)19-15-8-4-14(5-9-15)17(18)20/h6-7,10-12,14-15,19H,3-5,8-9H2,1-2H3,(H2,18,20)
InChIKeyWVSUGXMECMPJHJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.78
Rot. Bonds6

About 4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide

4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide (PubChem CID 43748803) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide
PubChem CID43748803
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide
SMILESCCOc1ccc(C(C)NC2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-21-16-10-6-13(7-11-16)12(2)19-15-8-4-14(5-9-15)17(18)20/h6-7,10-12,14-15,19H,3-5,8-9H2,1-2H3,(H2,18,20)
InChIKeyWVSUGXMECMPJHJ-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43791667
4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748795
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64500026
2-(cyclohexylamino)-2-(4-ethoxyphenyl)acetamide
CID 60998636
4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122030841
N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine
CID 65081646
N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
CID 65070030
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one
CID 82100823
N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705379
4-[1-(3-bromo-4-fluorophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43791702

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide (CID 43748803) is 4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide is CCOc1ccc(C(C)NC2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide?
The InChIKey is WVSUGXMECMPJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-21-16-10-6-13(7-11-16)12(2)19-15-8-4-14(5-9-15)17(18)20/h6-7,10-12,14-15,19H,3-5,8-9H2,1-2H3,(H2,18,20).
What are the key properties of 4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide?
4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43748803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).