(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide

C24H39N3O4 — CID 11933754

IUPAC(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
SMILESCCOc1ccc(NC(=O)CN(C)[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OCC
InChIInChI=1S/C24H39N3O4/c1-7-30-21-13-12-19(14-22(21)31-8-2)25-23(28)15-27(6)18(5)24(29)26-20-11-9-10-16(3)17(20)4/h12-14,16-18,20H,7-11,15H2,1-6H3,(H,25,28)(H,26,29)/t16-,17-,18+,20+/m0/s1
InChIKeyARRXFORQJKDLAZ-PNYFIKQUSA-N
MW433.59 g/mol
LogP3.68
Rot. Bonds10

About (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide

(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide (PubChem CID 11933754) has the molecular formula C24H39N3O4 and a molecular weight of 433.59 g/mol. Its IUPAC name is (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
PubChem CID11933754
Molecular FormulaC24H39N3O4
Molecular Weight433.59 g/mol
Exact Mass433.29
IUPAC Name(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
SMILESCCOc1ccc(NC(=O)CN(C)[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OCC
InChIInChI=1S/C24H39N3O4/c1-7-30-21-13-12-19(14-22(21)31-8-2)25-23(28)15-27(6)18(5)24(29)26-20-11-9-10-16(3)17(20)4/h12-14,16-18,20H,7-11,15H2,1-6H3,(H,25,28)(H,26,29)/t16-,17-,18+,20+/m0/s1
InChIKeyARRXFORQJKDLAZ-PNYFIKQUSA-N
XLogP3.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide
CID 42915427
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 11929484
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 11934112
N-(3,4-diethoxyphenyl)-2-[[(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
CID 11937853
(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658568
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912469
(2S)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9223025
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11933385
(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propanamide
CID 11929401
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide
CID 55410555
N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 24506793
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9198399

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide (CID 11933754) is (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide is CCOc1ccc(NC(=O)CN(C)[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OCC.
What is the InChIKey of (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide?
The InChIKey is ARRXFORQJKDLAZ-PNYFIKQUSA-N. The full InChI is InChI=1S/C24H39N3O4/c1-7-30-21-13-12-19(14-22(21)31-8-2)25-23(28)15-27(6)18(5)24(29)26-20-11-9-10-16(3)17(20)4/h12-14,16-18,20H,7-11,15H2,1-6H3,(H,25,28)(H,26,29)/t16-,17-,18+,20+/m0/s1.
What are the key properties of (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide?
(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide has a molecular weight of 433.59 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide is sourced from PubChem (CID 11933754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).