N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide

C18H21NO3 — CID 110667280

IUPACN-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCCCc2cccc(O)c2)c1
InChIInChI=1S/C18H21NO3/c1-14-5-2-9-17(11-14)22-13-18(21)19-10-4-7-15-6-3-8-16(20)12-15/h2-3,5-6,8-9,11-12,20H,4,7,10,13H2,1H3,(H,19,21)
InChIKeyBNHGTRJSBXQIDQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.83
Rot. Bonds7

About N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide

N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide (PubChem CID 110667280) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
PubChem CID110667280
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCCCc2cccc(O)c2)c1
InChIInChI=1S/C18H21NO3/c1-14-5-2-9-17(11-14)22-13-18(21)19-10-4-7-15-6-3-8-16(20)12-15/h2-3,5-6,8-9,11-12,20H,4,7,10,13H2,1H3,(H,19,21)
InChIKeyBNHGTRJSBXQIDQ-UHFFFAOYSA-N
XLogP2.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methoxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 95172598
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 51108003
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
methyl N-[3-(3-hydroxyphenyl)propyl]carbamate
CID 110667269
2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86928887
2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659062
N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100532072
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide (CID 110667280) is N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCCCc2cccc(O)c2)c1.
What is the InChIKey of N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is BNHGTRJSBXQIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14-5-2-9-17(11-14)22-13-18(21)19-10-4-7-15-6-3-8-16(20)12-15/h2-3,5-6,8-9,11-12,20H,4,7,10,13H2,1H3,(H,19,21).
What are the key properties of N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide?
N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 110667280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).