(E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide

C23H29NO4 — CID 19363412

IUPAC(E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide
SMILESCCCCCOc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1OC
InChIInChI=1S/C23H29NO4/c1-3-4-5-16-28-22-17-19(8-12-21(22)27-2)9-13-23(26)24-15-14-18-6-10-20(25)11-7-18/h6-13,17,25H,3-5,14-16H2,1-2H3,(H,24,26)/b13-9+
InChIKeyIPEZJCCFZYRHKI-UKTHLTGXSA-N
MW383.49 g/mol
LogP4.34
Rot. Bonds11

About (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide

(E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide (PubChem CID 19363412) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide
PubChem CID19363412
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name(E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide
SMILESCCCCCOc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1OC
InChIInChI=1S/C23H29NO4/c1-3-4-5-16-28-22-17-19(8-12-21(22)27-2)9-13-23(26)24-15-14-18-6-10-20(25)11-7-18/h6-13,17,25H,3-5,14-16H2,1-2H3,(H,24,26)/b13-9+
InChIKeyIPEZJCCFZYRHKI-UKTHLTGXSA-N
XLogP4.34
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Caffeoyltyramine
CID 9994897
Feruloyltyramine
CID 5280537
Rubemamine
CID 1042026
N-Trans-Sinapoyltyramine
CID 25245053
Bis-ferulamidobutane
CID 5321825
N-Caffeoyldopamine
CID 10171904
N-Acetyl-3,4-dimethoxyphenethylamine
CID 80465
N-Trans-Feruloyloctopamine
CID 24096391
Feruloyldopamine
CID 16119330
N-cis-Feruloyl tyramine
CID 6440659
Feruloylputrescine
CID 5281796
4-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-4-oxo-2-butenoic acid
CID 1549958

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide (CID 19363412) is (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide is CCCCCOc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1OC.
What is the InChIKey of (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide?
The InChIKey is IPEZJCCFZYRHKI-UKTHLTGXSA-N. The full InChI is InChI=1S/C23H29NO4/c1-3-4-5-16-28-22-17-19(8-12-21(22)27-2)9-13-23(26)24-15-14-18-6-10-20(25)11-7-18/h6-13,17,25H,3-5,14-16H2,1-2H3,(H,24,26)/b13-9+.
What are the key properties of (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide?
(E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide has a molecular weight of 383.49 g/mol, XLogP of 4.34, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methoxy-3-pentoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19363412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).