[2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate

C26H24N2O4 — CID 55320838

IUPAC[2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
SMILESCc1ccc(NC(=O)C(OC(=O)c2ccc(NC(=O)C3CC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O4/c1-17-7-13-21(14-8-17)28-25(30)23(18-5-3-2-4-6-18)32-26(31)20-11-15-22(16-12-20)27-24(29)19-9-10-19/h2-8,11-16,19,23H,9-10H2,1H3,(H,27,29)(H,28,30)
InChIKeySWXAMDATDJYAOP-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.88
Rot. Bonds7

About [2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate

[2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate (PubChem CID 55320838) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
PubChem CID55320838
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name[2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
SMILESCc1ccc(NC(=O)C(OC(=O)c2ccc(NC(=O)C3CC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O4/c1-17-7-13-21(14-8-17)28-25(30)23(18-5-3-2-4-6-18)32-26(31)20-11-15-22(16-12-20)27-24(29)19-9-10-19/h2-8,11-16,19,23H,9-10H2,1H3,(H,27,29)(H,28,30)
InChIKeySWXAMDATDJYAOP-UHFFFAOYSA-N
XLogP4.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate with MolForge

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Related Compounds

[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 55320929
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
1-O-methyl 2-O-[2-(4-methylanilino)-2-oxo-1-phenylethyl] benzene-1,2-dicarboxylate
CID 56506522
[(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126189341
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678572
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2646834
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 1,3-benzodioxole-5-carboxylate
CID 2646710
[2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792749
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 3-fluorobenzoate
CID 8612028
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-methylbenzoate
CID 4803163
[(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126187705
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 120666920

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate (CID 55320838) is [2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for [2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate is Cc1ccc(NC(=O)C(OC(=O)c2ccc(NC(=O)C3CC3)cc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate?
The InChIKey is SWXAMDATDJYAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-17-7-13-21(14-8-17)28-25(30)23(18-5-3-2-4-6-18)32-26(31)20-11-15-22(16-12-20)27-24(29)19-9-10-19/h2-8,11-16,19,23H,9-10H2,1H3,(H,27,29)(H,28,30).
What are the key properties of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate?
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate has a molecular weight of 428.49 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 55320838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).