N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide

C21H24N2O4 — CID 35347912

IUPACN-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)cc1NC(C)=O
InChIInChI=1S/C21H24N2O4/c1-13-5-6-16(11-14(13)2)19(25)8-10-21(26)23-17-7-9-20(27-4)18(12-17)22-15(3)24/h5-7,9,11-12H,8,10H2,1-4H3,(H,22,24)(H,23,26)
InChIKeyOYAYASVFBOGDRR-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.87
Rot. Bonds7

About N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide

N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide (PubChem CID 35347912) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
PubChem CID35347912
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)cc1NC(C)=O
InChIInChI=1S/C21H24N2O4/c1-13-5-6-16(11-14(13)2)19(25)8-10-21(26)23-17-7-9-20(27-4)18(12-17)22-15(3)24/h5-7,9,11-12H,8,10H2,1-4H3,(H,22,24)(H,23,26)
InChIKeyOYAYASVFBOGDRR-UHFFFAOYSA-N
XLogP3.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26889665
N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 46409125
N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796648
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33307641
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
CID 94262532
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 29198112
N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 18154236
N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119680210
2-chloro-5-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55991884

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide (CID 35347912) is N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide is COc1ccc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The InChIKey is OYAYASVFBOGDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-5-6-16(11-14(13)2)19(25)8-10-21(26)23-17-7-9-20(27-4)18(12-17)22-15(3)24/h5-7,9,11-12H,8,10H2,1-4H3,(H,22,24)(H,23,26).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide?
N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide has a molecular weight of 368.43 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 35347912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).