N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide

C18H20N2O4 — CID 110792956

IUPACN-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide
SMILESCOc1cc(NC(=O)CNC(=O)c2ccccc2)c(OC)cc1C
InChIInChI=1S/C18H20N2O4/c1-12-9-16(24-3)14(10-15(12)23-2)20-17(21)11-19-18(22)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyVMBJRDXMRAPTJZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide

N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide (PubChem CID 110792956) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide
PubChem CID110792956
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide
SMILESCOc1cc(NC(=O)CNC(=O)c2ccccc2)c(OC)cc1C
InChIInChI=1S/C18H20N2O4/c1-12-9-16(24-3)14(10-15(12)23-2)20-17(21)11-19-18(22)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyVMBJRDXMRAPTJZ-UHFFFAOYSA-N
XLogP2.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide
CID 24635188
N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide
CID 110793670
N-[2-[4-methoxy-3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 131925236
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
CID 119679319
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide
CID 9089623
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 46551082
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 37013397
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180531
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide (CID 110792956) is N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide is COc1cc(NC(=O)CNC(=O)c2ccccc2)c(OC)cc1C.
What is the InChIKey of N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is VMBJRDXMRAPTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-9-16(24-3)14(10-15(12)23-2)20-17(21)11-19-18(22)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide?
N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 328.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 110792956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).