N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide

C24H22N2O3 — CID 6817822

IUPACN-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide
SMILESO=C(NN=CC=Cc1ccccc1)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C24H22N2O3/c27-24(26-25-17-9-12-20-10-3-1-4-11-20)22-15-7-8-16-23(22)29-19-18-28-21-13-5-2-6-14-21/h1-17H,18-19H2,(H,26,27)
InChIKeyRZMATQNBWJXHPV-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.57
Rot. Bonds9

About N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide

N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide (PubChem CID 6817822) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide
PubChem CID6817822
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide
SMILESO=C(NN=CC=Cc1ccccc1)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C24H22N2O3/c27-24(26-25-17-9-12-20-10-3-1-4-11-20)22-15-7-8-16-23(22)29-19-18-28-21-13-5-2-6-14-21/h1-17H,18-19H2,(H,26,27)
InChIKeyRZMATQNBWJXHPV-UHFFFAOYSA-N
XLogP4.57
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 45054541
N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide
CID 2383085
N-(cinnamylideneamino)-2-iodobenzamide
CID 4982683
5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 6012251
2-[(2-phenoxyacetyl)amino]-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 11979311
N-(cinnamylideneamino)-3,4-dimethoxybenzamide
CID 6824789
2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4954440
N-(cinnamylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4198781
1,3-bis(cinnamylideneamino)urea
CID 2823909
N'-(2-ethoxyacetyl)-2-(2-phenoxyethoxy)benzohydrazide
CID 17140922
2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide
CID 4584749
2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129438781

Frequently Asked Questions

What is the IUPAC name of N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide (CID 6817822) is N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide is O=C(NN=CC=Cc1ccccc1)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide?
The InChIKey is RZMATQNBWJXHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-24(26-25-17-9-12-20-10-3-1-4-11-20)22-15-7-8-16-23(22)29-19-18-28-21-13-5-2-6-14-21/h1-17H,18-19H2,(H,26,27).
What are the key properties of N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide?
N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide has a molecular weight of 386.45 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 6817822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).