3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide

C27H24N2O3 — CID 39676638

IUPAC3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1OCc1cccnc1
InChIInChI=1S/C27H24N2O3/c1-2-31-26-17-22(14-15-25(26)32-19-20-9-8-16-28-18-20)27(30)29-24-13-7-6-12-23(24)21-10-4-3-5-11-21/h3-18H,2,19H2,1H3,(H,29,30)
InChIKeyXBJFHYAPQVPGOB-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.98
Rot. Bonds8

About 3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide

3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 39676638) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID39676638
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1OCc1cccnc1
InChIInChI=1S/C27H24N2O3/c1-2-31-26-17-22(14-15-25(26)32-19-20-9-8-16-28-18-20)27(30)29-24-13-7-6-12-23(24)21-10-4-3-5-11-21/h3-18H,2,19H2,1H3,(H,29,30)
InChIKeyXBJFHYAPQVPGOB-UHFFFAOYSA-N
XLogP5.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55953832
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
N-(5-acetamido-2-methoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39106187
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119363379
3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25345669
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39124709
3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 71848488

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide (CID 39676638) is 3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1OCc1cccnc1.
What is the InChIKey of 3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is XBJFHYAPQVPGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-2-31-26-17-22(14-15-25(26)32-19-20-9-8-16-28-18-20)27(30)29-24-13-7-6-12-23(24)21-10-4-3-5-11-21/h3-18H,2,19H2,1H3,(H,29,30).
What are the key properties of 3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide?
3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 424.50 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 39676638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).