3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide

C14H15NO2 — CID 135086979

IUPAC3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide
SMILESC=CCN(C)C(=O)C#Cc1ccc(OC)cc1
InChIInChI=1S/C14H15NO2/c1-4-11-15(2)14(16)10-7-12-5-8-13(17-3)9-6-12/h4-6,8-9H,1,11H2,2-3H3
InChIKeyHOIITRHPJBCPBQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.69
Rot. Bonds3

About 3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide

3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide (PubChem CID 135086979) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide
PubChem CID135086979
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide
SMILESC=CCN(C)C(=O)C#Cc1ccc(OC)cc1
InChIInChI=1S/C14H15NO2/c1-4-11-15(2)14(16)10-7-12-5-8-13(17-3)9-6-12/h4-6,8-9H,1,11H2,2-3H3
InChIKeyHOIITRHPJBCPBQ-UHFFFAOYSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 2392392
CID 2392392
CID 889955
CID 889955
CID 5373710
CID 5373710
CID 10543539
CID 10543539
CID 2737837
CID 2737837
CID 5826833
CID 5826833
CID 5853474
CID 5853474
CID 53016296
CID 53016296
CID 773630
CID 773630
CID 584258
CID 584258
CID 138981
CID 138981
CID 5374352
CID 5374352

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide (CID 135086979) is 3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide is C=CCN(C)C(=O)C#Cc1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide?
The InChIKey is HOIITRHPJBCPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-4-11-15(2)14(16)10-7-12-5-8-13(17-3)9-6-12/h4-6,8-9H,1,11H2,2-3H3.
What are the key properties of 3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide?
3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide has a molecular weight of 229.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide is sourced from PubChem (CID 135086979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).