(E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide

C22H27NO4 — CID 90599553

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide
SMILESCCC(CNC(=O)/C=C/c1ccc(OC)c(OC)c1)(OC)c1ccccc1
InChIInChI=1S/C22H27NO4/c1-5-22(27-4,18-9-7-6-8-10-18)16-23-21(24)14-12-17-11-13-19(25-2)20(15-17)26-3/h6-15H,5,16H2,1-4H3,(H,23,24)/b14-12+
InChIKeyUFZQTQSEIAUJTC-WYMLVPIESA-N
MW369.46 g/mol
LogP3.79
Rot. Bonds9

About (E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide (PubChem CID 90599553) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide
PubChem CID90599553
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide
SMILESCCC(CNC(=O)/C=C/c1ccc(OC)c(OC)c1)(OC)c1ccccc1
InChIInChI=1S/C22H27NO4/c1-5-22(27-4,18-9-7-6-8-10-18)16-23-21(24)14-12-17-11-13-19(25-2)20(15-17)26-3/h6-15H,5,16H2,1-4H3,(H,23,24)/b14-12+
InChIKeyUFZQTQSEIAUJTC-WYMLVPIESA-N
XLogP3.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.79
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

3-(3,4-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 74852248
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxy-2-phenylbutyl)urea
CID 90599815
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365
1-[[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]methyl]cyclobutane-1-carboxylic acid
CID 91338465
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 28119
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599769
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
(E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 8713217

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide (CID 90599553) is (E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide is CCC(CNC(=O)/C=C/c1ccc(OC)c(OC)c1)(OC)c1ccccc1.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide?
The InChIKey is UFZQTQSEIAUJTC-WYMLVPIESA-N. The full InChI is InChI=1S/C22H27NO4/c1-5-22(27-4,18-9-7-6-8-10-18)16-23-21(24)14-12-17-11-13-19(25-2)20(15-17)26-3/h6-15H,5,16H2,1-4H3,(H,23,24)/b14-12+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide has a molecular weight of 369.46 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-(2-methoxy-2-phenylbutyl)prop-2-enamide is sourced from PubChem (CID 90599553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).