4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide

C18H18N2O2 — CID 7348333

IUPAC4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(C)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-14(8-9-15-6-4-3-5-7-15)19-20-18(21)16-10-12-17(22-2)13-11-16/h3-13H,1-2H3,(H,20,21)/b9-8+,19-14+
InChIKeyYCSBMFDNBSKUKO-ZMYBKAFPSA-N
MW294.35 g/mol
LogP3.51
Rot. Bonds5

About 4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide

4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide (PubChem CID 7348333) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
PubChem CID7348333
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(C)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-14(8-9-15-6-4-3-5-7-15)19-20-18(21)16-10-12-17(22-2)13-11-16/h3-13H,1-2H3,(H,20,21)/b9-8+,19-14+
InChIKeyYCSBMFDNBSKUKO-ZMYBKAFPSA-N
XLogP3.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.51
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-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
N-[1-(4-methoxyphenyl)-3-oxo-3-[2-(4-phenylbut-3-en-2-ylidene)hydrazinyl]prop-1-en-2-yl]benzamide
CID 3360376
4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6948702
4-bromo-N-(4-phenylbut-3-en-2-ylideneamino)benzamide
CID 834129
4-decoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 51064208
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
4-(3-methylbutanoylamino)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6117811
4-methoxy-N-[(E)-2-phenylethenyl]benzamide
CID 12560217
4-(2-oxopyrrolidin-1-yl)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 792183
4-(octanoylamino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 129437818
N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide
CID 711620

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide?
The IUPAC name of 4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide (CID 7348333) is 4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide?
The canonical SMILES for 4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide is COc1ccc(C(=O)N/N=C(C)/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide?
The InChIKey is YCSBMFDNBSKUKO-ZMYBKAFPSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14(8-9-15-6-4-3-5-7-15)19-20-18(21)16-10-12-17(22-2)13-11-16/h3-13H,1-2H3,(H,20,21)/b9-8+,19-14+.
What are the key properties of 4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide?
4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide has a molecular weight of 294.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide is sourced from PubChem (CID 7348333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).