2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide

C22H20N2O4 — CID 171675779

IUPAC2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCCNC(=O)c1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C22H20N2O4/c23-21(26)19-9-1-2-10-20(19)28-12-11-24-22(27)17-7-3-5-15(13-17)16-6-4-8-18(25)14-16/h1-10,13-14,25H,11-12H2,(H2,23,26)(H,24,27)
InChIKeyNDKAIIGUORJUTD-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.97
Rot. Bonds7

About 2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide

2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide (PubChem CID 171675779) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide
PubChem CID171675779
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCCNC(=O)c1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C22H20N2O4/c23-21(26)19-9-1-2-10-20(19)28-12-11-24-22(27)17-7-3-5-15(13-17)16-6-4-8-18(25)14-16/h1-10,13-14,25H,11-12H2,(H2,23,26)(H,24,27)
InChIKeyNDKAIIGUORJUTD-UHFFFAOYSA-N
XLogP2.97
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 141178431
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N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
CID 83120683
N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
CID 63754284
2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide
CID 122569346
3-bromo-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174691
2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide
CID 51105782
2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide
CID 11717870
2-[2-bromo-5-(3-hydroxyphenyl)phenoxy]ethylcarbamic acid
CID 91098806
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CID 103074303
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CID 90580452

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide?
The IUPAC name of 2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide (CID 171675779) is 2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide.
What is the SMILES notation for 2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide?
The canonical SMILES for 2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide is NC(=O)c1ccccc1OCCNC(=O)c1cccc(-c2cccc(O)c2)c1.
What is the InChIKey of 2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide?
The InChIKey is NDKAIIGUORJUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c23-21(26)19-9-1-2-10-20(19)28-12-11-24-22(27)17-7-3-5-15(13-17)16-6-4-8-18(25)14-16/h1-10,13-14,25H,11-12H2,(H2,23,26)(H,24,27).
What are the key properties of 2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide?
2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide has a molecular weight of 376.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide is sourced from PubChem (CID 171675779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).