4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide

C19H20N2O4 — CID 108796107

IUPAC4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20N2O4/c1-12-3-9-17(25-2)15(11-12)16(22)8-10-18(23)21-14-6-4-13(5-7-14)19(20)24/h3-7,9,11H,8,10H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyIPLSSADTTVFHQK-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.70
Rot. Bonds7

About 4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide

4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide (PubChem CID 108796107) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide
PubChem CID108796107
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20N2O4/c1-12-3-9-17(25-2)15(11-12)16(22)8-10-18(23)21-14-6-4-13(5-7-14)19(20)24/h3-7,9,11H,8,10H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyIPLSSADTTVFHQK-UHFFFAOYSA-N
XLogP2.70
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoate
CID 108807478
N-[4-(dimethylamino)phenyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796073
N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795963
2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108807431
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide
CID 18107404
4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide
CID 108807460
4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide
CID 94324381
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 108807471
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 108807479
N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 45001353
methyl 4-(4-carbamoylanilino)-4-oxobutanoate
CID 721935
N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796003

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide?
The IUPAC name of 4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide (CID 108796107) is 4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide.
What is the SMILES notation for 4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide?
The canonical SMILES for 4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide is COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide?
The InChIKey is IPLSSADTTVFHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-3-9-17(25-2)15(11-12)16(22)8-10-18(23)21-14-6-4-13(5-7-14)19(20)24/h3-7,9,11H,8,10H2,1-2H3,(H2,20,24)(H,21,23).
What are the key properties of 4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide?
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide is sourced from PubChem (CID 108796107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).