N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide

C24H23N3O3 — CID 135625816

IUPACN-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCC/C(=N\NC(=O)c1ccc(NC(=O)c2ccccc2C)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H23N3O3/c1-3-22(17-10-14-20(28)15-11-17)26-27-23(29)18-8-12-19(13-9-18)25-24(30)21-7-5-4-6-16(21)2/h4-15,28H,3H2,1-2H3,(H,25,30)(H,27,29)/b26-22+
InChIKeyXYYWXZZXBMKVFV-XTCLZLMSSA-N
MW401.47 g/mol
LogP4.50
Rot. Bonds6

About N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide

N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 135625816) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide
PubChem CID135625816
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCC/C(=N\NC(=O)c1ccc(NC(=O)c2ccccc2C)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H23N3O3/c1-3-22(17-10-14-20(28)15-11-17)26-27-23(29)18-8-12-19(13-9-18)25-24(30)21-7-5-4-6-16(21)2/h4-15,28H,3H2,1-2H3,(H,25,30)(H,27,29)/b26-22+
InChIKeyXYYWXZZXBMKVFV-XTCLZLMSSA-N
XLogP4.50
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 910379
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135560459
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide
CID 135681181
N-[4-(ethylcarbamoyl)phenyl]-2-methylbenzamide
CID 17234252
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
CID 135643099
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
2-methyl-N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]benzamide
CID 17251708

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide (CID 135625816) is N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide is CC/C(=N\NC(=O)c1ccc(NC(=O)c2ccccc2C)cc1)c1ccc(O)cc1.
What is the InChIKey of N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is XYYWXZZXBMKVFV-XTCLZLMSSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-3-22(17-10-14-20(28)15-11-17)26-27-23(29)18-8-12-19(13-9-18)25-24(30)21-7-5-4-6-16(21)2/h4-15,28H,3H2,1-2H3,(H,25,30)(H,27,29)/b26-22+.
What are the key properties of N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide has a molecular weight of 401.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 135625816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).