2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide

C22H35N3O2 — CID 55410555

IUPAC2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide
SMILESCc1cccc(NC(=O)CN(C)C(C)C(=O)NC2CCCC(C)C2C)c1C
InChIInChI=1S/C22H35N3O2/c1-14-9-7-11-19(16(14)3)23-21(26)13-25(6)18(5)22(27)24-20-12-8-10-15(2)17(20)4/h7,9,11,15,17-18,20H,8,10,12-13H2,1-6H3,(H,23,26)(H,24,27)
InChIKeyORZXSCJKHAYSQX-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.50
Rot. Bonds6

About 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide (PubChem CID 55410555) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide
PubChem CID55410555
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide
SMILESCc1cccc(NC(=O)CN(C)C(C)C(=O)NC2CCCC(C)C2C)c1C
InChIInChI=1S/C22H35N3O2/c1-14-9-7-11-19(16(14)3)23-21(26)13-25(6)18(5)22(27)24-20-12-8-10-15(2)17(20)4/h7,9,11,15,17-18,20H,8,10,12-13H2,1-6H3,(H,23,26)(H,24,27)
InChIKeyORZXSCJKHAYSQX-UHFFFAOYSA-N
XLogP3.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propanamide
CID 11929401
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 11934112
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 11929484
(2R)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11932124
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11938729
(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11933754
N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 110880741
(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 8557442
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9198399
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11935793
N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911629

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide?
The IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide (CID 55410555) is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide.
What is the SMILES notation for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide?
The canonical SMILES for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide is Cc1cccc(NC(=O)CN(C)C(C)C(=O)NC2CCCC(C)C2C)c1C.
What is the InChIKey of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide?
The InChIKey is ORZXSCJKHAYSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-14-9-7-11-19(16(14)3)23-21(26)13-25(6)18(5)22(27)24-20-12-8-10-15(2)17(20)4/h7,9,11,15,17-18,20H,8,10,12-13H2,1-6H3,(H,23,26)(H,24,27).
What are the key properties of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide?
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide has a molecular weight of 373.54 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide is sourced from PubChem (CID 55410555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).