4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide

C12H17NO3 — CID 129196340

IUPAC4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide
SMILESCCc1ccc(C(=O)NCCO)cc1OC
InChIInChI=1S/C12H17NO3/c1-3-9-4-5-10(8-11(9)16-2)12(15)13-6-7-14/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyFNNUBXFJXSKBIK-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.98
Rot. Bonds5

About 4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide

4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide (PubChem CID 129196340) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide
PubChem CID129196340
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide
SMILESCCc1ccc(C(=O)NCCO)cc1OC
InChIInChI=1S/C12H17NO3/c1-3-9-4-5-10(8-11(9)16-2)12(15)13-6-7-14/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyFNNUBXFJXSKBIK-UHFFFAOYSA-N
XLogP0.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid
CID 142797913
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
3-methoxy-N-methyl-4-propylbenzamide
CID 155440057

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide?
The IUPAC name of 4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide (CID 129196340) is 4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide.
What is the SMILES notation for 4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide?
The canonical SMILES for 4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide is CCc1ccc(C(=O)NCCO)cc1OC.
What is the InChIKey of 4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide?
The InChIKey is FNNUBXFJXSKBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-9-4-5-10(8-11(9)16-2)12(15)13-6-7-14/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of 4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide?
4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide has a molecular weight of 223.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide is sourced from PubChem (CID 129196340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).