N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide

C18H21NO3 — CID 111432554

IUPACN-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
SMILESCCOc1cccc(C(C)NC(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-3-22-16-11-7-10-15(12-16)13(2)19-18(21)17(20)14-8-5-4-6-9-14/h4-13,17,20H,3H2,1-2H3,(H,19,21)
InChIKeyIJMVLKMULSMVCG-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.00
Rot. Bonds6

About N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide

N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide (PubChem CID 111432554) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
PubChem CID111432554
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
SMILESCCOc1cccc(C(C)NC(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-3-22-16-11-7-10-15(12-16)13(2)19-18(21)17(20)14-8-5-4-6-9-14/h4-13,17,20H,3H2,1-2H3,(H,19,21)
InChIKeyIJMVLKMULSMVCG-UHFFFAOYSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
(2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 124683253
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
2-acetamido-N-[1-(3-ethoxyphenyl)ethyl]acetamide
CID 75418201
5-[1-(3-ethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685225
trans-(1S,2S)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132003
4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673043
(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide
CID 94217949
cis-(1S,3R)-3-[1-(3-ethoxyphenyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065439
N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 119745540
1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea
CID 112972965

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide (CID 111432554) is N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide is CCOc1cccc(C(C)NC(=O)C(O)c2ccccc2)c1.
What is the InChIKey of N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is IJMVLKMULSMVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-22-16-11-7-10-15(12-16)13(2)19-18(21)17(20)14-8-5-4-6-9-14/h4-13,17,20H,3H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide?
N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 299.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 111432554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).