3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide

C18H27N3O2 — CID 119508589

IUPAC3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCNC(=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-2-19-11-12-20-17(22)15-9-6-10-16(13-15)21-18(23)14-7-4-3-5-8-14/h6,9-10,13-14,19H,2-5,7-8,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyJDALEJONPXPZMP-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.54
Rot. Bonds7

About 3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide

3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide (PubChem CID 119508589) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide
PubChem CID119508589
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCNC(=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-2-19-11-12-20-17(22)15-9-6-10-16(13-15)21-18(23)14-7-4-3-5-8-14/h6,9-10,13-14,19H,2-5,7-8,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyJDALEJONPXPZMP-UHFFFAOYSA-N
XLogP2.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.54
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

3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
3-(cyclohexanecarbonylamino)-N-(2-hydroxypropyl)benzamide
CID 78866245
3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119440451
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
3-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 75429563
N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
CID 42427444
3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515028
3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55782171
3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 39899444
N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119384006
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide
CID 55651913

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide?
The IUPAC name of 3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide (CID 119508589) is 3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide is CCNCCNC(=O)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide?
The InChIKey is JDALEJONPXPZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-19-11-12-20-17(22)15-9-6-10-16(13-15)21-18(23)14-7-4-3-5-8-14/h6,9-10,13-14,19H,2-5,7-8,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide?
3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide has a molecular weight of 317.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide is sourced from PubChem (CID 119508589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).