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

C19H23NO3 — CID 86919939

IUPACN-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
SMILESCCc1ccc(NC(=O)COc2ccc(C(O)CC)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-3-14-5-9-16(10-6-14)20-19(22)13-23-17-11-7-15(8-12-17)18(21)4-2/h5-12,18,21H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyWBVKSYZSAGFHJI-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.71
Rot. Bonds7

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

N-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide (PubChem CID 86919939) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
PubChem CID86919939
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
SMILESCCc1ccc(NC(=O)COc2ccc(C(O)CC)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-3-14-5-9-16(10-6-14)20-19(22)13-23-17-11-7-15(8-12-17)18(21)4-2/h5-12,18,21H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyWBVKSYZSAGFHJI-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
2-[4-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364935
2-(4-anilinophenoxy)-N-(4-ethylphenyl)acetamide
CID 2559894
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 8503993
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide
CID 78933968
2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide
CID 43504554
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide (CID 86919939) is N-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide is CCc1ccc(NC(=O)COc2ccc(C(O)CC)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide?
The InChIKey is WBVKSYZSAGFHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-14-5-9-16(10-6-14)20-19(22)13-23-17-11-7-15(8-12-17)18(21)4-2/h5-12,18,21H,3-4,13H2,1-2H3,(H,20,22).
What are the key properties of N-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide?
N-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide is sourced from PubChem (CID 86919939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).