N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide

C18H20N2O2 — CID 840640

IUPACN-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide
SMILESCCC(=NNC(=O)c1cccc(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H20N2O2/c1-4-17(14-8-10-16(22-3)11-9-14)19-20-18(21)15-7-5-6-13(2)12-15/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyPBLMBKUWJRZEFA-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.55
Rot. Bonds5

About N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide

N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide (PubChem CID 840640) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide
PubChem CID840640
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide
SMILESCCC(=NNC(=O)c1cccc(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H20N2O2/c1-4-17(14-8-10-16(22-3)11-9-14)19-20-18(21)15-7-5-6-13(2)12-15/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyPBLMBKUWJRZEFA-UHFFFAOYSA-N
XLogP3.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.55
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

3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4286726
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 6062098
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134
2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4096350
3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91169409
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
CID 19685167
N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
CID 6379049
3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide
CID 5191997
methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate
CID 8972630
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide (CID 840640) is N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide is CCC(=NNC(=O)c1cccc(C)c1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide?
The InChIKey is PBLMBKUWJRZEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-4-17(14-8-10-16(22-3)11-9-14)19-20-18(21)15-7-5-6-13(2)12-15/h5-12H,4H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide?
N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide has a molecular weight of 296.37 g/mol, XLogP of 3.55, 5 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]-3-methylbenzamide is sourced from PubChem (CID 840640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).