N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

C22H26N2O4 — CID 18112877

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C22H26N2O4/c1-14-8-10-20(28-4)17(12-14)19(25)9-11-21(26)23-13-22(27)24-18-7-5-6-15(2)16(18)3/h5-8,10,12H,9,11,13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyOSDHYNPIHASZRW-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.34
Rot. Bonds8

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (PubChem CID 18112877) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
PubChem CID18112877
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C22H26N2O4/c1-14-8-10-20(28-4)17(12-14)19(25)9-11-21(26)23-13-22(27)24-18-7-5-6-15(2)16(18)3/h5-8,10,12H,9,11,13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyOSDHYNPIHASZRW-UHFFFAOYSA-N
XLogP3.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099909
3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide
CID 26660572
2-(5-acetyl-2-methoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 17427408
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796003
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 108795993
4-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 108796959
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113174112
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9058226
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968949

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (CID 18112877) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is COc1ccc(C)cc1C(=O)CCC(=O)NCC(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The InChIKey is OSDHYNPIHASZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-14-8-10-20(28-4)17(12-14)19(25)9-11-21(26)23-13-22(27)24-18-7-5-6-15(2)16(18)3/h5-8,10,12H,9,11,13H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide has a molecular weight of 382.46 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 18112877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).