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

C14H22N2O4 — CID 106151929

IUPAC3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
SMILESCCOc1c(N)cccc1C(=O)NC(CCO)COC
InChIInChI=1S/C14H22N2O4/c1-3-20-13-11(5-4-6-12(13)15)14(18)16-10(7-8-17)9-19-2/h4-6,10,17H,3,7-9,15H2,1-2H3,(H,16,18)
InChIKeySULBLCDFJVYZAF-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.79
Rot. Bonds8

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

3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide (PubChem CID 106151929) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
PubChem CID106151929
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
SMILESCCOc1c(N)cccc1C(=O)NC(CCO)COC
InChIInChI=1S/C14H22N2O4/c1-3-20-13-11(5-4-6-12(13)15)14(18)16-10(7-8-17)9-19-2/h4-6,10,17H,3,7-9,15H2,1-2H3,(H,16,18)
InChIKeySULBLCDFJVYZAF-UHFFFAOYSA-N
XLogP0.79
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 106152007
3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347855
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
3-amino-2-ethoxy-N-pent-4-yn-2-ylbenzamide
CID 113476869
3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 113472635
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylbenzamide
CID 103855412
N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide
CID 103851034
3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
CID 103850888
3-amino-N-(1-methoxypentan-2-yl)-2-nitrobenzamide
CID 115549148
3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
CID 107316231
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382
3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide
CID 113495433

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
The IUPAC name of 3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide (CID 106151929) is 3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
The canonical SMILES for 3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide is CCOc1c(N)cccc1C(=O)NC(CCO)COC.
What is the InChIKey of 3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
The InChIKey is SULBLCDFJVYZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-20-13-11(5-4-6-12(13)15)14(18)16-10(7-8-17)9-19-2/h4-6,10,17H,3,7-9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide has a molecular weight of 282.34 g/mol, XLogP of 0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 106151929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).