3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide

C16H23NO3 — CID 2932857

IUPAC3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NCCC(C)C)cc1OC
InChIInChI=1S/C16H23NO3/c1-12(2)9-10-17-16(18)8-6-13-5-7-14(19-3)15(11-13)20-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)
InChIKeyIKGDZNIRVSCVLI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.88
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide

3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide (PubChem CID 2932857) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
PubChem CID2932857
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NCCC(C)C)cc1OC
InChIInChI=1S/C16H23NO3/c1-12(2)9-10-17-16(18)8-6-13-5-7-14(19-3)15(11-13)20-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)
InChIKeyIKGDZNIRVSCVLI-UHFFFAOYSA-N
XLogP2.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide
CID 2677238
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 3985990
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide
CID 75128807
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
(E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
CID 121112229
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide
CID 33162225

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide (CID 2932857) is 3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide is COc1ccc(C=CC(=O)NCCC(C)C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide?
The InChIKey is IKGDZNIRVSCVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)9-10-17-16(18)8-6-13-5-7-14(19-3)15(11-13)20-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide?
3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide has a molecular weight of 277.36 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide is sourced from PubChem (CID 2932857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).