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

C14H17NO2 — CID 154716586

IUPACN,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide
SMILESCCN(CC)C(=O)C#Cc1cccc(OC)c1
InChIInChI=1S/C14H17NO2/c1-4-15(5-2)14(16)10-9-12-7-6-8-13(11-12)17-3/h6-8,11H,4-5H2,1-3H3
InChIKeyCRZYGTGTRKGIPJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.92
Rot. Bonds3

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

N,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide (PubChem CID 154716586) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide.

Molecular Properties

Compound NameN,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide
PubChem CID154716586
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide
SMILESCCN(CC)C(=O)C#Cc1cccc(OC)c1
InChIInChI=1S/C14H17NO2/c1-4-15(5-2)14(16)10-9-12-7-6-8-13(11-12)17-3/h6-8,11H,4-5H2,1-3H3
InChIKeyCRZYGTGTRKGIPJ-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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Related Compounds

3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide
CID 68942642
N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine
CID 11586570
5-(3-methoxyphenyl)pent-4-ynoic acid
CID 83700907
3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride
CID 75365696
S-(3-methoxyphenyl) N,N-diethylcarbamothioate
CID 10847603
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
(2R)-N,N-diethyl-2-(3-methoxyphenoxy)butanamide
CID 99950238
3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one
CID 134965190
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide
CID 68945753
N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide
CID 60957047
N,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 156692775

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide?
The IUPAC name of N,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide (CID 154716586) is N,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide.
What is the SMILES notation for N,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide?
The canonical SMILES for N,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide is CCN(CC)C(=O)C#Cc1cccc(OC)c1.
What is the InChIKey of N,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide?
The InChIKey is CRZYGTGTRKGIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-15(5-2)14(16)10-9-12-7-6-8-13(11-12)17-3/h6-8,11H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide?
N,N-diethyl-3-(3-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-(3-methoxyphenyl)prop-2-ynamide is sourced from PubChem (CID 154716586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).