4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide

C13H19NO3 — CID 81042787

IUPAC4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)CCO)cc1
InChIInChI=1S/C13H19NO3/c1-3-17-12-6-4-11(5-7-12)13(16)14-10(2)8-9-15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyGRWWVZDVHOSDNS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.59
Rot. Bonds6

About 4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide

4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide (PubChem CID 81042787) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
PubChem CID81042787
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)CCO)cc1
InChIInChI=1S/C13H19NO3/c1-3-17-12-6-4-11(5-7-12)13(16)14-10(2)8-9-15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyGRWWVZDVHOSDNS-UHFFFAOYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 132651364
4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246765
4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 78856899
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750873
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756
N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
(2S)-2-[[2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]propanoic acid
CID 119943039

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide?
The IUPAC name of 4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide (CID 81042787) is 4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide is CCOc1ccc(C(=O)NC(C)CCO)cc1.
What is the InChIKey of 4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide?
The InChIKey is GRWWVZDVHOSDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-17-12-6-4-11(5-7-12)13(16)14-10(2)8-9-15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of 4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide?
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide has a molecular weight of 237.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 81042787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).