3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide

C15H21NO2 — CID 118204455

IUPAC3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide
SMILESC=CC(c1cccc(OC)c1)C(C)C(=O)N(C)C
InChIInChI=1S/C15H21NO2/c1-6-14(11(2)15(17)16(3)4)12-8-7-9-13(10-12)18-5/h6-11,14H,1H2,2-5H3
InChIKeyYSRZNQWZRZYRLK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.69
Rot. Bonds5

About 3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide

3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide (PubChem CID 118204455) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide
PubChem CID118204455
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide
SMILESC=CC(c1cccc(OC)c1)C(C)C(=O)N(C)C
InChIInChI=1S/C15H21NO2/c1-6-14(11(2)15(17)16(3)4)12-8-7-9-13(10-12)18-5/h6-11,14H,1H2,2-5H3
InChIKeyYSRZNQWZRZYRLK-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-3-(3-methoxyphenyl)-2-methylpent-4-enoic acid
CID 118204888
(2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide
CID 118204661
N,N,2-trimethyl-3-phenylpent-4-enamide
CID 132648038
3-(3-methoxyphenyl)-2-methylpent-4-enal
CID 174715071
(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
CID 58555143
(1R,2S)-1-(3-methoxyphenyl)-2-methylbut-3-en-1-ol
CID 139262042
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid
CID 71623405
azane;1-but-3-en-2-yl-3-methoxybenzene
CID 143849691
S-[(1S)-1-(3-methoxyphenyl)prop-2-enyl] ethanethioate
CID 71663287
2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675083
(1R)-1-(3-methoxyphenyl)prop-2-en-1-amine
CID 55278128
(2S)-2-methyl-3-phenylpent-4-enoic acid
CID 70506498

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide?
The IUPAC name of 3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide (CID 118204455) is 3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide is C=CC(c1cccc(OC)c1)C(C)C(=O)N(C)C.
What is the InChIKey of 3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide?
The InChIKey is YSRZNQWZRZYRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-6-14(11(2)15(17)16(3)4)12-8-7-9-13(10-12)18-5/h6-11,14H,1H2,2-5H3.
What are the key properties of 3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide?
3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide is sourced from PubChem (CID 118204455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).