(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide

C23H31N3O3 — CID 9037230

IUPAC(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H31N3O3/c1-6-29-20-12-10-19(11-13-20)15-26(5)18(4)23(28)24-14-21(27)25-22-16(2)8-7-9-17(22)3/h7-13,18H,6,14-15H2,1-5H3,(H,24,28)(H,25,27)/t18-/m1/s1
InChIKeyYWRQOGUASGDWHO-GOSISDBHSA-N
MW397.52 g/mol
LogP3.28
Rot. Bonds9

About (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide

(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide (PubChem CID 9037230) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
PubChem CID9037230
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H31N3O3/c1-6-29-20-12-10-19(11-13-20)15-26(5)18(4)23(28)24-14-21(27)25-22-16(2)8-7-9-17(22)3/h7-13,18H,6,14-15H2,1-5H3,(H,24,28)(H,25,27)/t18-/m1/s1
InChIKeyYWRQOGUASGDWHO-GOSISDBHSA-N
XLogP3.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494913
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 9038911
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9041912
(2R)-2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9030159
(2S)-2-[(4-tert-butylphenyl)methyl-methylamino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9042651
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 46823246
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide
CID 60524407
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 8008525
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 42888919
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 9042589
(2S)-2-[[4-(dimethylamino)phenyl]methyl-ethylamino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9030363

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide (CID 9037230) is (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide is CCOc1ccc(CN(C)[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is YWRQOGUASGDWHO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-6-29-20-12-10-19(11-13-20)15-26(5)18(4)23(28)24-14-21(27)25-22-16(2)8-7-9-17(22)3/h7-13,18H,6,14-15H2,1-5H3,(H,24,28)(H,25,27)/t18-/m1/s1.
What are the key properties of (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 397.52 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 9037230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).