(E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide

C20H23NO3 — CID 8713217

IUPAC(E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO3/c1-3-13-24-18-11-9-16(14-19(18)23-2)10-12-20(22)21-15-17-7-5-4-6-8-17/h4-12,14H,3,13,15H2,1-2H3,(H,21,22)/b12-10+
InChIKeyNRCVSBPYHIYIAP-ZRDIBKRKSA-N
MW325.41 g/mol
LogP3.81
Rot. Bonds8

About (E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide

(E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide (PubChem CID 8713217) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
PubChem CID8713217
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO3/c1-3-13-24-18-11-9-16(14-19(18)23-2)10-12-20(22)21-15-17-7-5-4-6-8-17/h4-12,14H,3,13,15H2,1-2H3,(H,21,22)/b12-10+
InChIKeyNRCVSBPYHIYIAP-ZRDIBKRKSA-N
XLogP3.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.81
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)-N-benzyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188981
(E)-N-[(4-acetamidophenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 32859165
(E)-N-[(3-ethoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 98812303
(E)-N-benzyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 8713243
(E)-3-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]prop-2-enamide
CID 54776580
(E)-3-(3-methoxy-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 29437112
(E)-3-(3-methoxy-4-propoxyphenyl)-N-[2-(N-methylanilino)ethyl]prop-2-enamide
CID 30664111
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365
(E)-N-(benzylcarbamothioyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 1380290
2-[[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102535095
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
[4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate
CID 19178249

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide (CID 8713217) is (E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(/C=C/C(=O)NCc2ccccc2)cc1OC.
What is the InChIKey of (E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
The InChIKey is NRCVSBPYHIYIAP-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-13-24-18-11-9-16(14-19(18)23-2)10-12-20(22)21-15-17-7-5-4-6-8-17/h4-12,14H,3,13,15H2,1-2H3,(H,21,22)/b12-10+.
What are the key properties of (E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
(E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide has a molecular weight of 325.41 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 8713217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).