N-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide

C20H25NO3 — CID 110025226

IUPACN-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide
SMILESCCOc1ccccc1CCNC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-3-24-18-12-8-7-9-16(18)13-14-21-19(22)15-20(2,23)17-10-5-4-6-11-17/h4-12,23H,3,13-15H2,1-2H3,(H,21,22)
InChIKeyVJAHVMPGDLFZFT-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.04
Rot. Bonds8

About N-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide

N-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide (PubChem CID 110025226) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide
PubChem CID110025226
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide
SMILESCCOc1ccccc1CCNC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-3-24-18-12-8-7-9-16(18)13-14-21-19(22)15-20(2,23)17-10-5-4-6-11-17/h4-12,23H,3,13-15H2,1-2H3,(H,21,22)
InChIKeyVJAHVMPGDLFZFT-UHFFFAOYSA-N
XLogP3.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119772879
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119317380
4-[(2-ethoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133691
3-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenylbutanamide
CID 110025113
N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119772890
3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid
CID 68548212
2-amino-N-[2-(2-ethoxyphenyl)ethyl]pentanamide
CID 119317373
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
(2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 119772916
3-(2-ethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 78805128
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide (CID 110025226) is N-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide is CCOc1ccccc1CCNC(=O)CC(C)(O)c1ccccc1.
What is the InChIKey of N-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is VJAHVMPGDLFZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-24-18-12-8-7-9-16(18)13-14-21-19(22)15-20(2,23)17-10-5-4-6-11-17/h4-12,23H,3,13-15H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide?
N-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 327.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110025226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).