4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide

C15H23NO3 — CID 61246765

IUPAC4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(CO)CC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-4-19-14-7-5-12(6-8-14)15(18)16-13(10-17)9-11(2)3/h5-8,11,13,17H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyIWBIYFMQQCEKKV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.22
Rot. Bonds7

About 4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide

4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide (PubChem CID 61246765) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
PubChem CID61246765
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(CO)CC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-4-19-14-7-5-12(6-8-14)15(18)16-13(10-17)9-11(2)3/h5-8,11,13,17H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyIWBIYFMQQCEKKV-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromobutan-2-yl)-4-ethoxybenzamide
CID 114307651
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide
CID 61245639
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488
4-ethoxy-N-[3-methyl-1-[2-(methylamino)ethylamino]-1-oxobutan-2-yl]benzamide
CID 119503972
4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 78856899
(2S)-2-[[2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]propanoic acid
CID 119943039
4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246638
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 104981373
6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 63977631

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The IUPAC name of 4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide (CID 61246765) is 4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The canonical SMILES for 4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide is CCOc1ccc(C(=O)NC(CO)CC(C)C)cc1.
What is the InChIKey of 4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The InChIKey is IWBIYFMQQCEKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-19-14-7-5-12(6-8-14)15(18)16-13(10-17)9-11(2)3/h5-8,11,13,17H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of 4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide has a molecular weight of 265.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 61246765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).