N,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide

C14H17NO2 — CID 11264738

IUPACN,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide
SMILESCCN(CC)C(=O)C#Cc1ccc(OC)cc1
InChIInChI=1S/C14H17NO2/c1-4-15(5-2)14(16)11-8-12-6-9-13(17-3)10-7-12/h6-7,9-10H,4-5H2,1-3H3
InChIKeyNNQNKTZBDPMIKS-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.92
Rot. Bonds3

About N,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide

N,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide (PubChem CID 11264738) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide
PubChem CID11264738
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide
SMILESCCN(CC)C(=O)C#Cc1ccc(OC)cc1
InChIInChI=1S/C14H17NO2/c1-4-15(5-2)14(16)11-8-12-6-9-13(17-3)10-7-12/h6-7,9-10H,4-5H2,1-3H3
InChIKeyNNQNKTZBDPMIKS-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide?
The IUPAC name of N,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide (CID 11264738) is N,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide.
What is the SMILES notation for N,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide?
The canonical SMILES for N,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide is CCN(CC)C(=O)C#Cc1ccc(OC)cc1.
What is the InChIKey of N,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide?
The InChIKey is NNQNKTZBDPMIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-15(5-2)14(16)11-8-12-6-9-13(17-3)10-7-12/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide?
N,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide has a molecular weight of 231.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-methoxyphenyl)prop-2-ynamide is sourced from PubChem (CID 11264738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).