N-(2-phenylethylideneamino)-2-propoxybenzamide

C18H20N2O2 — CID 4931468

IUPACN-(2-phenylethylideneamino)-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NN=CCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-2-14-22-17-11-7-6-10-16(17)18(21)20-19-13-12-15-8-4-3-5-9-15/h3-11,13H,2,12,14H2,1H3,(H,20,21)
InChIKeyHBRZZSNDGLETDO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.43
Rot. Bonds7

About N-(2-phenylethylideneamino)-2-propoxybenzamide

N-(2-phenylethylideneamino)-2-propoxybenzamide (PubChem CID 4931468) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-phenylethylideneamino)-2-propoxybenzamide.

Molecular Properties

Compound NameN-(2-phenylethylideneamino)-2-propoxybenzamide
PubChem CID4931468
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(2-phenylethylideneamino)-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NN=CCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-2-14-22-17-11-7-6-10-16(17)18(21)20-19-13-12-15-8-4-3-5-9-15/h3-11,13H,2,12,14H2,1H3,(H,20,21)
InChIKeyHBRZZSNDGLETDO-UHFFFAOYSA-N
XLogP3.43
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.43
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-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 54788819
N-[(4-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931427
2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide
CID 4931437
N-(1-phenylbutylideneamino)-2-propoxybenzamide
CID 4931478
N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
CID 4931422
2-propoxy-N-propylbenzamide
CID 58831728
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
3-bromo-N-(2-phenylethylideneamino)benzamide
CID 4684181

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethylideneamino)-2-propoxybenzamide?
The IUPAC name of N-(2-phenylethylideneamino)-2-propoxybenzamide (CID 4931468) is N-(2-phenylethylideneamino)-2-propoxybenzamide.
What is the SMILES notation for N-(2-phenylethylideneamino)-2-propoxybenzamide?
The canonical SMILES for N-(2-phenylethylideneamino)-2-propoxybenzamide is CCCOc1ccccc1C(=O)NN=CCc1ccccc1.
What is the InChIKey of N-(2-phenylethylideneamino)-2-propoxybenzamide?
The InChIKey is HBRZZSNDGLETDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-14-22-17-11-7-6-10-16(17)18(21)20-19-13-12-15-8-4-3-5-9-15/h3-11,13H,2,12,14H2,1H3,(H,20,21).
What are the key properties of N-(2-phenylethylideneamino)-2-propoxybenzamide?
N-(2-phenylethylideneamino)-2-propoxybenzamide has a molecular weight of 296.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethylideneamino)-2-propoxybenzamide is sourced from PubChem (CID 4931468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).