N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide

C14H21NO3 — CID 58190079

IUPACN-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide
SMILESCCOc1cc(C(NC(C)=O)C(C)C)ccc1O
InChIInChI=1S/C14H21NO3/c1-5-18-13-8-11(6-7-12(13)17)14(9(2)3)15-10(4)16/h6-9,14,17H,5H2,1-4H3,(H,15,16)
InChIKeyIMPRSWVIWXANJV-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.62
Rot. Bonds5

About N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide

N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide (PubChem CID 58190079) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide
PubChem CID58190079
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide
SMILESCCOc1cc(C(NC(C)=O)C(C)C)ccc1O
InChIInChI=1S/C14H21NO3/c1-5-18-13-8-11(6-7-12(13)17)14(9(2)3)15-10(4)16/h6-9,14,17H,5H2,1-4H3,(H,15,16)
InChIKeyIMPRSWVIWXANJV-UHFFFAOYSA-N
XLogP2.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide
CID 46649966
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide
CID 75896022
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119696392
2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide
CID 119274983
N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 5120159
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 51262699
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 46649897
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
CID 46649898
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide
CID 119274977
4-[[1-(3,4-diethoxyphenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672384
2-[(3-ethoxy-4-hydroxyphenyl)-hydroxymethyl]pentanoic acid
CID 83043577
2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid
CID 63704025

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide?
The IUPAC name of N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide (CID 58190079) is N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide is CCOc1cc(C(NC(C)=O)C(C)C)ccc1O.
What is the InChIKey of N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide?
The InChIKey is IMPRSWVIWXANJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-18-13-8-11(6-7-12(13)17)14(9(2)3)15-10(4)16/h6-9,14,17H,5H2,1-4H3,(H,15,16).
What are the key properties of N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide?
N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 58190079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).