2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide

C22H29N3O2 — CID 46561822

IUPAC2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)N(C)CC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C22H29N3O2/c1-14-10-11-15(2)19(12-14)23-22(27)18(5)25(6)13-20(26)24-21-16(3)8-7-9-17(21)4/h7-12,18H,13H2,1-6H3,(H,23,27)(H,24,26)
InChIKeyWEDSCKQPAOIDOZ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.82
Rot. Bonds6

About 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide

2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide (PubChem CID 46561822) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide
PubChem CID46561822
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)N(C)CC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C22H29N3O2/c1-14-10-11-15(2)19(12-14)23-22(27)18(5)25(6)13-20(26)24-21-16(3)8-7-9-17(21)4/h7-12,18H,13H2,1-6H3,(H,23,27)(H,24,26)
InChIKeyWEDSCKQPAOIDOZ-UHFFFAOYSA-N
XLogP3.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 8557442
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42911688
N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide
CID 42897193
N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46562604
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 55430703
N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750380
N-(2,6-dimethylphenyl)-2-[(2,5-dimethylphenyl)methyl-methylamino]acetamide
CID 9221850
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42912128
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 46561720
(2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
CID 8557644
(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8912935
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
CID 9045922

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide (CID 46561822) is 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)C(C)N(C)CC(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is WEDSCKQPAOIDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-14-10-11-15(2)19(12-14)23-22(27)18(5)25(6)13-20(26)24-21-16(3)8-7-9-17(21)4/h7-12,18H,13H2,1-6H3,(H,23,27)(H,24,26).
What are the key properties of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide?
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 367.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 46561822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).