3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide

C15H23NO5 — CID 103850888

IUPAC3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NC(CCO)COC)ccc1OC
InChIInChI=1S/C15H23NO5/c1-4-21-14-9-11(5-6-13(14)20-3)15(18)16-12(7-8-17)10-19-2/h5-6,9,12,17H,4,7-8,10H2,1-3H3,(H,16,18)
InChIKeyAVHOFHZDCRMWDF-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.22
Rot. Bonds9

About 3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide

3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide (PubChem CID 103850888) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
PubChem CID103850888
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NC(CCO)COC)ccc1OC
InChIInChI=1S/C15H23NO5/c1-4-21-14-9-11(5-6-13(14)20-3)15(18)16-12(7-8-17)10-19-2/h5-6,9,12,17H,4,7-8,10H2,1-3H3,(H,16,18)
InChIKeyAVHOFHZDCRMWDF-UHFFFAOYSA-N
XLogP1.22
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
CID 103850770
3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 43418103
N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide
CID 106180328
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 113434933
2-[(4-ethoxy-3-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702980
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
(2S)-2-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137510
2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702074
4-(4-chloro-2-nitrophenoxy)-N-[(2R)-4-hydroxy-1-methoxybutan-2-yl]-3-methoxybenzamide
CID 97062743
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide?
The IUPAC name of 3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide (CID 103850888) is 3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide?
The canonical SMILES for 3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide is CCOc1cc(C(=O)NC(CCO)COC)ccc1OC.
What is the InChIKey of 3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide?
The InChIKey is AVHOFHZDCRMWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-4-21-14-9-11(5-6-13(14)20-3)15(18)16-12(7-8-17)10-19-2/h5-6,9,12,17H,4,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of 3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide?
3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide has a molecular weight of 297.35 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 103850888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).