(E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C16H23NO4 — CID 7762009

IUPAC(E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC(C)C)cc(OC)c1OC
InChIInChI=1S/C16H23NO4/c1-11(2)10-17-15(18)7-6-12-8-13(19-3)16(21-5)14(9-12)20-4/h6-9,11H,10H2,1-5H3,(H,17,18)/b7-6+
InChIKeyPMASCARXOAUEEW-VOTSOKGWSA-N
MW293.36 g/mol
LogP2.50
Rot. Bonds7

About (E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 7762009) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID7762009
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC(C)C)cc(OC)c1OC
InChIInChI=1S/C16H23NO4/c1-11(2)10-17-15(18)7-6-12-8-13(19-3)16(21-5)14(9-12)20-4/h6-9,11H,10H2,1-5H3,(H,17,18)/b7-6+
InChIKeyPMASCARXOAUEEW-VOTSOKGWSA-N
XLogP2.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]propan-2-yl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 6020428
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
(E)-N-[(2S)-2-methoxy-2-(4-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 11223344
(E)-N-[(2R)-2-(4-hydroxyphenyl)-2-methoxyethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 11165109
N-(cyanomethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3488907
(E)-N-(1-hydroxypropan-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 5355806
(E)-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 95983427
(E)-N-but-3-ynyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90537887
N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75211078
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
[2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate
CID 2492729
(E)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 24891432

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 7762009) is (E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)NCC(C)C)cc(OC)c1OC.
What is the InChIKey of (E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is PMASCARXOAUEEW-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)10-17-15(18)7-6-12-8-13(19-3)16(21-5)14(9-12)20-4/h6-9,11H,10H2,1-5H3,(H,17,18)/b7-6+.
What are the key properties of (E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 293.36 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7762009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).