N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide

C19H22N2O3 — CID 4931430

IUPACN-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NN=Cc1ccccc1OCC
InChIInChI=1S/C19H22N2O3/c1-3-13-24-18-12-8-6-10-16(18)19(22)21-20-14-15-9-5-7-11-17(15)23-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyZIPFCZXVXBOKKC-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.64
Rot. Bonds8

About N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide

N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide (PubChem CID 4931430) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
PubChem CID4931430
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NN=Cc1ccccc1OCC
InChIInChI=1S/C19H22N2O3/c1-3-13-24-18-12-8-6-10-16(18)19(22)21-20-14-15-9-5-7-11-17(15)23-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyZIPFCZXVXBOKKC-UHFFFAOYSA-N
XLogP3.64
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 54788819
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226
N-[(4-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931427
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
CID 4931422
1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523602
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 676026
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893654

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide (CID 4931430) is N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide is CCCOc1ccccc1C(=O)NN=Cc1ccccc1OCC.
What is the InChIKey of N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide?
The InChIKey is ZIPFCZXVXBOKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-13-24-18-12-8-6-10-16(18)19(22)21-20-14-15-9-5-7-11-17(15)23-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,21,22).
What are the key properties of N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide?
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide is sourced from PubChem (CID 4931430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).