N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide

C19H23NO3 — CID 110876929

IUPACN-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
SMILESCCc1ccc(C(C)NC(=O)COc2ccc(CO)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-3-15-4-8-17(9-5-15)14(2)20-19(22)13-23-18-10-6-16(12-21)7-11-18/h4-11,14,21H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyRWKMBYWAKUIZOL-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.00
Rot. Bonds7

About N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide

N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide (PubChem CID 110876929) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
PubChem CID110876929
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
SMILESCCc1ccc(C(C)NC(=O)COc2ccc(CO)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-3-15-4-8-17(9-5-15)14(2)20-19(22)13-23-18-10-6-16(12-21)7-11-18/h4-11,14,21H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyRWKMBYWAKUIZOL-UHFFFAOYSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17326918
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821
2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 28721742
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 35891231
2-(3,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326919
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272330
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580616
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide (CID 110876929) is N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide is CCc1ccc(C(C)NC(=O)COc2ccc(CO)cc2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide?
The InChIKey is RWKMBYWAKUIZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-15-4-8-17(9-5-15)14(2)20-19(22)13-23-18-10-6-16(12-21)7-11-18/h4-11,14,21H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide?
N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide is sourced from PubChem (CID 110876929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).