2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide

C24H23N3O2 — CID 7238939

IUPAC2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc(C(=O)N/N=C/CCc2ccccc2)c1
InChIInChI=1S/C24H23N3O2/c1-18-9-5-6-15-22(18)24(29)26-21-14-7-13-20(17-21)23(28)27-25-16-8-12-19-10-3-2-4-11-19/h2-7,9-11,13-17H,8,12H2,1H3,(H,26,29)(H,27,28)/b25-16+
InChIKeyHRPOJGIBNHJWET-PCLIKHOPSA-N
MW385.47 g/mol
LogP4.60
Rot. Bonds7

About 2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide

2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide (PubChem CID 7238939) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide
PubChem CID7238939
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc(C(=O)N/N=C/CCc2ccccc2)c1
InChIInChI=1S/C24H23N3O2/c1-18-9-5-6-15-22(18)24(29)26-21-14-7-13-20(17-21)23(28)27-25-16-8-12-19-10-3-2-4-11-19/h2-7,9-11,13-17H,8,12H2,1H3,(H,26,29)(H,27,28)/b25-16+
InChIKeyHRPOJGIBNHJWET-PCLIKHOPSA-N
XLogP4.60
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid
CID 110841503
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3376592
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396
N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide
CID 846043
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496
N-[3-[[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135472807
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3376596
3-benzamido-N-[(E)-benzylideneamino]benzamide
CID 56690708
N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
CID 28754642
3-bromo-N-(2-phenylethylideneamino)benzamide
CID 4684181

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide (CID 7238939) is 2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide is Cc1ccccc1C(=O)Nc1cccc(C(=O)N/N=C/CCc2ccccc2)c1.
What is the InChIKey of 2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide?
The InChIKey is HRPOJGIBNHJWET-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-18-9-5-6-15-22(18)24(29)26-21-14-7-13-20(17-21)23(28)27-25-16-8-12-19-10-3-2-4-11-19/h2-7,9-11,13-17H,8,12H2,1H3,(H,26,29)(H,27,28)/b25-16+.
What are the key properties of 2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide?
2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide has a molecular weight of 385.47 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 7238939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).