4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide

C13H20N2O3 — CID 114227338

IUPAC4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide
SMILESCCOC(CN)CC(=O)Nc1ccccc1CO
InChIInChI=1S/C13H20N2O3/c1-2-18-11(8-14)7-13(17)15-12-6-4-3-5-10(12)9-16/h3-6,11,16H,2,7-9,14H2,1H3,(H,15,17)
InChIKeyYLQCHCGVVUDYBM-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.87
Rot. Bonds7

About 4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide

4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide (PubChem CID 114227338) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide
PubChem CID114227338
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide
SMILESCCOC(CN)CC(=O)Nc1ccccc1CO
InChIInChI=1S/C13H20N2O3/c1-2-18-11(8-14)7-13(17)15-12-6-4-3-5-10(12)9-16/h3-6,11,16H,2,7-9,14H2,1H3,(H,15,17)
InChIKeyYLQCHCGVVUDYBM-UHFFFAOYSA-N
XLogP0.87
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide
CID 114227332
4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide
CID 103154440
4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide
CID 114227270
4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide
CID 114227336
4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide
CID 114227576
2-(4-ethoxyphenyl)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 60653646
4-amino-N-(6-chloropyridazin-3-yl)-3-ethoxybutanamide
CID 114227565
4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide
CID 103154459
4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide
CID 114227566
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327
4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide
CID 114227302
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide?
The IUPAC name of 4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide (CID 114227338) is 4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide?
The canonical SMILES for 4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide is CCOC(CN)CC(=O)Nc1ccccc1CO.
What is the InChIKey of 4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide?
The InChIKey is YLQCHCGVVUDYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-18-11(8-14)7-13(17)15-12-6-4-3-5-10(12)9-16/h3-6,11,16H,2,7-9,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide?
4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide has a molecular weight of 252.31 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide is sourced from PubChem (CID 114227338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).