3-(2-aminoethyl)-N-cyclohexylbenzamide

C15H22N2O — CID 62591538

IUPAC3-(2-aminoethyl)-N-cyclohexylbenzamide
SMILESNCCc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H22N2O/c16-10-9-12-5-4-6-13(11-12)15(18)17-14-7-2-1-3-8-14/h4-6,11,14H,1-3,7-10,16H2,(H,17,18)
InChIKeyQSILZXSSMPWOQZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.25
Rot. Bonds4

About 3-(2-aminoethyl)-N-cyclohexylbenzamide

3-(2-aminoethyl)-N-cyclohexylbenzamide (PubChem CID 62591538) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-cyclohexylbenzamide
PubChem CID62591538
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(2-aminoethyl)-N-cyclohexylbenzamide
SMILESNCCc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H22N2O/c16-10-9-12-5-4-6-13(11-12)15(18)17-14-7-2-1-3-8-14/h4-6,11,14H,1-3,7-10,16H2,(H,17,18)
InChIKeyQSILZXSSMPWOQZ-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107211868
3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 62592616
3-(cyanomethyl)-N-cyclopentylbenzamide
CID 82178994
3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide
CID 79856078
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111631963
N-cyclooctyl-3-methylbenzamide
CID 966011
3-carbamothioyl-N-cyclopentylbenzamide
CID 24691849
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 54795813
3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide
CID 60821489
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-cyclohexylbenzamide?
The IUPAC name of 3-(2-aminoethyl)-N-cyclohexylbenzamide (CID 62591538) is 3-(2-aminoethyl)-N-cyclohexylbenzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-cyclohexylbenzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-cyclohexylbenzamide is NCCc1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-cyclohexylbenzamide?
The InChIKey is QSILZXSSMPWOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-10-9-12-5-4-6-13(11-12)15(18)17-14-7-2-1-3-8-14/h4-6,11,14H,1-3,7-10,16H2,(H,17,18).
What are the key properties of 3-(2-aminoethyl)-N-cyclohexylbenzamide?
3-(2-aminoethyl)-N-cyclohexylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-cyclohexylbenzamide is sourced from PubChem (CID 62591538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).