(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide

C17H25NO3 — CID 134016624

IUPAC(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)NC(C)C)cc1OCC
InChIInChI=1S/C17H25NO3/c1-5-11-21-15-9-7-14(12-16(15)20-6-2)8-10-17(19)18-13(3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H,18,19)/b10-8+
InChIKeySZKHKAFVIURGOA-CSKARUKUSA-N
MW291.39 g/mol
LogP3.41
Rot. Bonds8

About (E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide

(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide (PubChem CID 134016624) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide
PubChem CID134016624
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)NC(C)C)cc1OCC
InChIInChI=1S/C17H25NO3/c1-5-11-21-15-9-7-14(12-16(15)20-6-2)8-10-17(19)18-13(3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H,18,19)/b10-8+
InChIKeySZKHKAFVIURGOA-CSKARUKUSA-N
XLogP3.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.41
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

(2R)-2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 92926240
3-(3-methoxy-4-propoxyphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide
CID 76859005
(E)-3-(3,4-diethoxyphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 732816
(E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 732818
[2-oxo-2-(propan-2-ylamino)ethyl] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate
CID 7904289
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 2789629
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857517
(Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide
CID 82152945
N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 33317052
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-propan-2-ylprop-2-enamide
CID 73422617
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide (CID 134016624) is (E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide is CCCOc1ccc(/C=C/C(=O)NC(C)C)cc1OCC.
What is the InChIKey of (E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide?
The InChIKey is SZKHKAFVIURGOA-CSKARUKUSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-11-21-15-9-7-14(12-16(15)20-6-2)8-10-17(19)18-13(3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H,18,19)/b10-8+.
What are the key properties of (E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide?
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide has a molecular weight of 291.39 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 134016624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).