N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide

C24H24N4O4 — CID 46551082

IUPACN-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H24N4O4/c1-16-8-13-21(32-2)20(14-16)28-22(29)15-25-23(30)17-9-11-19(12-10-17)27-24(31)26-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,30)(H,28,29)(H2,26,27,31)
InChIKeyQXJSXFCZWPWYHV-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.02
Rot. Bonds7

About N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 46551082) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
PubChem CID46551082
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H24N4O4/c1-16-8-13-21(32-2)20(14-16)28-22(29)15-25-23(30)17-9-11-19(12-10-17)27-24(31)26-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,30)(H,28,29)(H2,26,27,31)
InChIKeyQXJSXFCZWPWYHV-UHFFFAOYSA-N
XLogP4.02
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 37013397
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 24673626
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
CID 9098271
N-[2-[4-methoxy-3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 131925236
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 28917301
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37138088
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide (CID 46551082) is N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide is COc1ccc(C)cc1NC(=O)CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is QXJSXFCZWPWYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-16-8-13-21(32-2)20(14-16)28-22(29)15-25-23(30)17-9-11-19(12-10-17)27-24(31)26-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,30)(H,28,29)(H2,26,27,31).
What are the key properties of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide?
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 432.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 46551082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).