4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide

C18H27N3O2 — CID 54839256

IUPAC4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-3-19-18(23)14-9-11-15(12-10-14)20-13-17(22)21(2)16-7-5-4-6-8-16/h9-12,16,20H,3-8,13H2,1-2H3,(H,19,23)
InChIKeyUOUXXXHPHKCEBM-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.64
Rot. Bonds6

About 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide

4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide (PubChem CID 54839256) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
PubChem CID54839256
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-3-19-18(23)14-9-11-15(12-10-14)20-13-17(22)21(2)16-7-5-4-6-8-16/h9-12,16,20H,3-8,13H2,1-2H3,(H,19,23)
InChIKeyUOUXXXHPHKCEBM-UHFFFAOYSA-N
XLogP2.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840118
N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide
CID 54812377
3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838807
4-amino-N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]benzamide
CID 43213215
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-(ethylamino)benzamide
CID 63316486
N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide
CID 54821088
N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839417
4-(cyclohexylamino)-N-ethylbenzamide
CID 43728555
3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
CID 51210719
3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide
CID 78828352
N-cyclohexyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 86911687
N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 112805274

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide?
The IUPAC name of 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide (CID 54839256) is 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide?
The canonical SMILES for 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide is CCNC(=O)c1ccc(NCC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide?
The InChIKey is UOUXXXHPHKCEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-19-18(23)14-9-11-15(12-10-14)20-13-17(22)21(2)16-7-5-4-6-8-16/h9-12,16,20H,3-8,13H2,1-2H3,(H,19,23).
What are the key properties of 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide?
4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide has a molecular weight of 317.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 54839256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).