N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide

C23H22N2O2 — CID 5000617

IUPACN-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
SMILESCCC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H22N2O2/c1-3-22(19-13-15-21(27-2)16-14-19)24-25-23(26)20-11-9-18(10-12-20)17-7-5-4-6-8-17/h4-16H,3H2,1-2H3,(H,25,26)
InChIKeyOVOKSGZMYJUQJT-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.91
Rot. Bonds6

About N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide

N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide (PubChem CID 5000617) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
PubChem CID5000617
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
SMILESCCC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H22N2O2/c1-3-22(19-13-15-21(27-2)16-14-19)24-25-23(26)20-11-9-18(10-12-20)17-7-5-4-6-8-17/h4-16H,3H2,1-2H3,(H,25,26)
InChIKeyOVOKSGZMYJUQJT-UHFFFAOYSA-N
XLogP4.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
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

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4096350
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide
CID 840640
3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4286726
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 6062098
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
N-(heptan-4-ylideneamino)-4-phenylbenzamide
CID 5067120
N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
CID 4933037
4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide
CID 4927529
N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
CID 6379049
N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide
CID 4581663

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide (CID 5000617) is N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide is CCC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide?
The InChIKey is OVOKSGZMYJUQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-3-22(19-13-15-21(27-2)16-14-19)24-25-23(26)20-11-9-18(10-12-20)17-7-5-4-6-8-17/h4-16H,3H2,1-2H3,(H,25,26).
What are the key properties of N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide?
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide has a molecular weight of 358.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 5000617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).