2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide

C18H27N3O2 — CID 55435805

IUPAC2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide
SMILESCCN(C(=O)CNc1ccccc1C(=O)NC)C1CCCCC1
InChIInChI=1S/C18H27N3O2/c1-3-21(14-9-5-4-6-10-14)17(22)13-20-16-12-8-7-11-15(16)18(23)19-2/h7-8,11-12,14,20H,3-6,9-10,13H2,1-2H3,(H,19,23)
InChIKeyKOYPYCOGQQIUNG-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.64
Rot. Bonds6

About 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide

2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide (PubChem CID 55435805) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide
PubChem CID55435805
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide
SMILESCCN(C(=O)CNc1ccccc1C(=O)NC)C1CCCCC1
InChIInChI=1S/C18H27N3O2/c1-3-21(14-9-5-4-6-10-14)17(22)13-20-16-12-8-7-11-15(16)18(23)19-2/h7-8,11-12,14,20H,3-6,9-10,13H2,1-2H3,(H,19,23)
InChIKeyKOYPYCOGQQIUNG-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

N-cyclohexyl-N-ethyl-2-(2-methoxyanilino)acetamide
CID 78782325
N-cyclohexyl-2-(2,6-difluoroanilino)-N-ethylacetamide
CID 78822634
methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 78820382
methyl 2-[[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]amino]benzoate
CID 109003544
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 96520981
N-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24632581
2-(3-acetylanilino)-N-cyclohexyl-N-ethylacetamide
CID 47005247
2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide
CID 55437224
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-cyclohexyl-N-ethyl-2-(ethylamino)acetamide
CID 60686638
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7042884

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide (CID 55435805) is 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide is CCN(C(=O)CNc1ccccc1C(=O)NC)C1CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide?
The InChIKey is KOYPYCOGQQIUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-21(14-9-5-4-6-10-14)17(22)13-20-16-12-8-7-11-15(16)18(23)19-2/h7-8,11-12,14,20H,3-6,9-10,13H2,1-2H3,(H,19,23).
What are the key properties of 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide?
2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide 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 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide is sourced from PubChem (CID 55435805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).