N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide

C19H19NO3 — CID 90548986

IUPACN-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc(C#CCNC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C19H19NO3/c1-15-6-3-4-8-18(15)23-14-19(21)20-13-5-7-16-9-11-17(22-2)12-10-16/h3-4,6,8-12H,13-14H2,1-2H3,(H,20,21)
InChIKeyPPOOTYGXZOIMFE-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.55
Rot. Bonds5

About N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide

N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide (PubChem CID 90548986) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
PubChem CID90548986
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC NameN-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc(C#CCNC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C19H19NO3/c1-15-6-3-4-8-18(15)23-14-19(21)20-13-5-7-16-9-11-17(22-2)12-10-16/h3-4,6,8-12H,13-14H2,1-2H3,(H,20,21)
InChIKeyPPOOTYGXZOIMFE-UHFFFAOYSA-N
XLogP2.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90549535
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 94843850
N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 110783322
2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550577
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide
CID 86992179
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide
CID 90551888
ethyl N-[3-(4-methoxyphenyl)prop-2-ynyl]carbamate
CID 90549022
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 7700204
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 6870806
2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711623
1-[(4-methoxyphenyl)methyl]-3-[4-(2-methylphenoxy)but-2-ynyl]urea
CID 90575389
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 18111378

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide (CID 90548986) is N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide is COc1ccc(C#CCNC(=O)COc2ccccc2C)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is PPOOTYGXZOIMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-15-6-3-4-8-18(15)23-14-19(21)20-13-5-7-16-9-11-17(22-2)12-10-16/h3-4,6,8-12H,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide?
N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 90548986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).