3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide

C14H21NO4 — CID 43418103

IUPAC3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NC(CC)CO)ccc1OC
InChIInChI=1S/C14H21NO4/c1-4-11(9-16)15-14(17)10-6-7-12(18-3)13(8-10)19-5-2/h6-8,11,16H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyIRVWZEVAUZKZIM-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.59
Rot. Bonds7

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

3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide (PubChem CID 43418103) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
PubChem CID43418103
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NC(CC)CO)ccc1OC
InChIInChI=1S/C14H21NO4/c1-4-11(9-16)15-14(17)10-6-7-12(18-3)13(8-10)19-5-2/h6-8,11,16H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyIRVWZEVAUZKZIM-UHFFFAOYSA-N
XLogP1.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide
CID 61094806
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
CID 103850888
(2S)-2-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137510
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid
CID 62696695
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide
CID 106180328
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide
CID 93041589
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide
CID 55901936
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide?
The IUPAC name of 3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide (CID 43418103) is 3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide?
The canonical SMILES for 3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide is CCOc1cc(C(=O)NC(CC)CO)ccc1OC.
What is the InChIKey of 3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide?
The InChIKey is IRVWZEVAUZKZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-11(9-16)15-14(17)10-6-7-12(18-3)13(8-10)19-5-2/h6-8,11,16H,4-5,9H2,1-3H3,(H,15,17).
What are the key properties of 3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide?
3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide has a molecular weight of 267.32 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 43418103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).