N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide

C15H17NO2 — CID 90548876

IUPACN-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide
SMILESC=CCCC(=O)NCC#Cc1ccc(OC)cc1
InChIInChI=1S/C15H17NO2/c1-3-4-7-15(17)16-12-5-6-13-8-10-14(18-2)11-9-13/h3,8-11H,1,4,7,12H2,2H3,(H,16,17)
InChIKeyHBUVKBGYLVRLIL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.13
Rot. Bonds5

About N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide

N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide (PubChem CID 90548876) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide
PubChem CID90548876
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide
SMILESC=CCCC(=O)NCC#Cc1ccc(OC)cc1
InChIInChI=1S/C15H17NO2/c1-3-4-7-15(17)16-12-5-6-13-8-10-14(18-2)11-9-13/h3,8-11H,1,4,7,12H2,2H3,(H,16,17)
InChIKeyHBUVKBGYLVRLIL-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
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

3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide
CID 90549032
4-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]-4-oxobutanamide
CID 90548870
ethyl N-[3-(4-methoxyphenyl)prop-2-ynyl]carbamate
CID 90549022
N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide
CID 71802876
3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide
CID 90548872
N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90548986
5-(4-methoxyphenyl)pent-4-ynamide
CID 125493873
N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide
CID 3325031
N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide
CID 90548082
1-[(4-fluorophenyl)methyl]-3-[3-(4-methoxyphenyl)prop-2-ynyl]urea
CID 90553066
methyl 4-(4-methoxyphenyl)-2-[(pent-4-enoylamino)methyl]-3H-pyrrole-5-carboxylate
CID 122430362
4-[3-(4-chlorobutanoylamino)prop-1-ynyl]benzamide
CID 90549739

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide?
The IUPAC name of N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide (CID 90548876) is N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide is C=CCCC(=O)NCC#Cc1ccc(OC)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide?
The InChIKey is HBUVKBGYLVRLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-4-7-15(17)16-12-5-6-13-8-10-14(18-2)11-9-13/h3,8-11H,1,4,7,12H2,2H3,(H,16,17).
What are the key properties of N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide?
N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide has a molecular weight of 243.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide is sourced from PubChem (CID 90548876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).