N-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide

C12H11NO3 — CID 175805181

IUPACN-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide
SMILESC#CC(=O)NC(=O)Cc1ccccc1OC
InChIInChI=1S/C12H11NO3/c1-3-11(14)13-12(15)8-9-6-4-5-7-10(9)16-2/h1,4-7H,8H2,2H3,(H,13,14,15)
InChIKeyNHDYFHAUEJQFSN-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.51
Rot. Bonds3

About N-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide

N-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide (PubChem CID 175805181) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide
PubChem CID175805181
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC NameN-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide
SMILESC#CC(=O)NC(=O)Cc1ccccc1OC
InChIInChI=1S/C12H11NO3/c1-3-11(14)13-12(15)8-9-6-4-5-7-10(9)16-2/h1,4-7H,8H2,2H3,(H,13,14,15)
InChIKeyNHDYFHAUEJQFSN-UHFFFAOYSA-N
XLogP0.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.51
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

2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide
CID 88576704
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
N'-[2-(2-methoxyphenyl)acetyl]-3-methylbutanehydrazide
CID 46653047
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide
CID 63284741
2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387619
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
2-(2-methoxyphenyl)acetyl cyanide
CID 89033062

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide?
The IUPAC name of N-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide (CID 175805181) is N-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide is C#CC(=O)NC(=O)Cc1ccccc1OC.
What is the InChIKey of N-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide?
The InChIKey is NHDYFHAUEJQFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-3-11(14)13-12(15)8-9-6-4-5-7-10(9)16-2/h1,4-7H,8H2,2H3,(H,13,14,15).
What are the key properties of N-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide?
N-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide has a molecular weight of 217.22 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide is sourced from PubChem (CID 175805181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).