N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide

C13H19NO3 — CID 55008658

IUPACN-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(O)cc1)C(C)COC
InChIInChI=1S/C13H19NO3/c1-4-14(10(2)9-17-3)13(16)11-5-7-12(15)8-6-11/h5-8,10,15H,4,9H2,1-3H3
InChIKeyOAIYRFLWFVTLPS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.89
Rot. Bonds5

About N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide

N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 55008658) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide
PubChem CID55008658
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(O)cc1)C(C)COC
InChIInChI=1S/C13H19NO3/c1-4-14(10(2)9-17-3)13(16)11-5-7-12(15)8-6-11/h5-8,10,15H,4,9H2,1-3H3
InChIKeyOAIYRFLWFVTLPS-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
3-[4-[ethyl(1-methoxypropan-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76912754
3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103908083
6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide
CID 115283107
3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103841773
N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
CID 102741640
4-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 54978956
4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 82833134
3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 54942871
4-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-3-nitrobenzamide
CID 60741118
4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 113263118
4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 103957082

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide (CID 55008658) is N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide is CCN(C(=O)c1ccc(O)cc1)C(C)COC.
What is the InChIKey of N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is OAIYRFLWFVTLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-14(10(2)9-17-3)13(16)11-5-7-12(15)8-6-11/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide?
N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 237.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 55008658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).