2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide

C20H18N2O3 — CID 141383175

IUPAC2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide
SMILESCCOc1cc(-c2ccccc2)ccc1C(=O)/N=c1/ccccn1O
InChIInChI=1S/C20H18N2O3/c1-2-25-18-14-16(15-8-4-3-5-9-15)11-12-17(18)20(23)21-19-10-6-7-13-22(19)24/h3-14,24H,2H2,1H3/b21-19-
InChIKeyBBQKILMQRAICCU-VZCXRCSSSA-N
MW334.38 g/mol
LogP3.53
Rot. Bonds4

About 2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide

2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide (PubChem CID 141383175) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide.

Molecular Properties

Compound Name2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide
PubChem CID141383175
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide
SMILESCCOc1cc(-c2ccccc2)ccc1C(=O)/N=c1/ccccn1O
InChIInChI=1S/C20H18N2O3/c1-2-25-18-14-16(15-8-4-3-5-9-15)11-12-17(18)20(23)21-19-10-6-7-13-22(19)24/h3-14,24H,2H2,1H3/b21-19-
InChIKeyBBQKILMQRAICCU-VZCXRCSSSA-N
XLogP3.53
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
2-ethoxy-4-pyridin-3-ylbenzamide
CID 155568101
2-(2-methylpropoxy)-4-phenylbenzoic acid
CID 162369990
3-(2-ethoxy-5-phenylphenyl)propanoic acid
CID 83969109
2-ethoxy-5-phenylbenzenecarboximidamide
CID 83969112
2-(cyclopropylmethoxy)-4-phenylbenzoic acid
CID 162369991
1-ethoxy-4-phenylbenzene;phenol
CID 174652155
3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid
CID 67781652
2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid
CID 71083072
(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate
CID 19179210
(2-ethoxy-5-phenylphenyl)thiourea
CID 169357905
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide?
The IUPAC name of 2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide (CID 141383175) is 2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide.
What is the SMILES notation for 2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide?
The canonical SMILES for 2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide is CCOc1cc(-c2ccccc2)ccc1C(=O)/N=c1/ccccn1O.
What is the InChIKey of 2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide?
The InChIKey is BBQKILMQRAICCU-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-2-25-18-14-16(15-8-4-3-5-9-15)11-12-17(18)20(23)21-19-10-6-7-13-22(19)24/h3-14,24H,2H2,1H3/b21-19-.
What are the key properties of 2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide?
2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide has a molecular weight of 334.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide is sourced from PubChem (CID 141383175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).