2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide

C18H27N3O2 — CID 86979720

IUPAC2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C18H27N3O2/c1-14(18(23)20-16-11-7-4-8-12-16)21(2)13-17(22)19-15-9-5-3-6-10-15/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyKNSHHAYAWYRSRK-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.39
Rot. Bonds6

About 2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide

2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide (PubChem CID 86979720) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
PubChem CID86979720
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C18H27N3O2/c1-14(18(23)20-16-11-7-4-8-12-16)21(2)13-17(22)19-15-9-5-3-6-10-15/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyKNSHHAYAWYRSRK-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 17457194
N-cyclopropyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 18196271
N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 17427442
(2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 8676303
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 9222589
N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46561956
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-cyclopropylpropanamide
CID 18196276
(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 8557442
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 40817156
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide
CID 51171048
N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46630518

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide?
The IUPAC name of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide (CID 86979720) is 2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide is CC(C(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide?
The InChIKey is KNSHHAYAWYRSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(18(23)20-16-11-7-4-8-12-16)21(2)13-17(22)19-15-9-5-3-6-10-15/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide?
2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide has a molecular weight of 317.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide is sourced from PubChem (CID 86979720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).