4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide

C17H19NO3 — CID 11841380

IUPAC4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C(C)O)c2)cc1
InChIInChI=1S/C17H19NO3/c1-3-21-16-9-7-13(8-10-16)17(20)18-15-6-4-5-14(11-15)12(2)19/h4-12,19H,3H2,1-2H3,(H,18,20)
InChIKeyVAJXPFCICPOUCB-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.39
Rot. Bonds5

About 4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide

4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide (PubChem CID 11841380) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
PubChem CID11841380
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C(C)O)c2)cc1
InChIInChI=1S/C17H19NO3/c1-3-21-16-9-7-13(8-10-16)17(20)18-15-6-4-5-14(11-15)12(2)19/h4-12,19H,3H2,1-2H3,(H,18,20)
InChIKeyVAJXPFCICPOUCB-UHFFFAOYSA-N
XLogP3.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803554
N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide
CID 100803572
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841391
4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097294
N-[3-(1-hydroxyethyl)phenyl]-4-phenylbenzamide
CID 18552677
2-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 43508405
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601985

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide (CID 11841380) is 4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(C(C)O)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide?
The InChIKey is VAJXPFCICPOUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-21-16-9-7-13(8-10-16)17(20)18-15-6-4-5-14(11-15)12(2)19/h4-12,19H,3H2,1-2H3,(H,18,20).
What are the key properties of 4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide?
4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide has a molecular weight of 285.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide is sourced from PubChem (CID 11841380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).