(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide

C15H21NO3 — CID 2329661

IUPAC(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
SMILESCOc1ccc(/C=C\C(=O)NCC(C)C)cc1OC
InChIInChI=1S/C15H21NO3/c1-11(2)10-16-15(17)8-6-12-5-7-13(18-3)14(9-12)19-4/h5-9,11H,10H2,1-4H3,(H,16,17)/b8-6-
InChIKeyWOKRTAGFLHSDPM-VURMDHGXSA-N
MW263.34 g/mol
LogP2.49
Rot. Bonds6

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

(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide (PubChem CID 2329661) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
PubChem CID2329661
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
SMILESCOc1ccc(/C=C\C(=O)NCC(C)C)cc1OC
InChIInChI=1S/C15H21NO3/c1-11(2)10-16-15(17)8-6-12-5-7-13(18-3)14(9-12)19-4/h5-9,11H,10H2,1-4H3,(H,16,17)/b8-6-
InChIKeyWOKRTAGFLHSDPM-VURMDHGXSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.49
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

3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2932857
(E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7762009
methyl 2,3-bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoate
CID 5470540
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(E)-N-(2-aminopropyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 82354203
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467
3-(3,4-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 74852248
3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 28119
3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide
CID 3881543
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide (CID 2329661) is (Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide is COc1ccc(/C=C\C(=O)NCC(C)C)cc1OC.
What is the InChIKey of (Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is WOKRTAGFLHSDPM-VURMDHGXSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)10-16-15(17)8-6-12-5-7-13(18-3)14(9-12)19-4/h5-9,11H,10H2,1-4H3,(H,16,17)/b8-6-.
What are the key properties of (Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide?
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 2329661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).