3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide

C23H29NO3 — CID 4174981

IUPAC3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
SMILESCCCCCOc1ccc(C=CC(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C23H29NO3/c1-4-5-9-16-27-21-14-12-19(17-22(21)26-3)13-15-23(25)24-18(2)20-10-7-6-8-11-20/h6-8,10-15,17-18H,4-5,9,16H2,1-3H3,(H,24,25)
InChIKeyIKEAFBGGMQUNJD-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.15
Rot. Bonds10

About 3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide

3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide (PubChem CID 4174981) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
PubChem CID4174981
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
SMILESCCCCCOc1ccc(C=CC(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C23H29NO3/c1-4-5-9-16-27-21-14-12-19(17-22(21)26-3)13-15-23(25)24-18(2)20-10-7-6-8-11-20/h6-8,10-15,17-18H,4-5,9,16H2,1-3H3,(H,24,25)
InChIKeyIKEAFBGGMQUNJD-UHFFFAOYSA-N
XLogP5.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 9315161
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 102534548
(E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19172071
(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
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 51308733
3-(4-butoxy-3-methoxyphenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 78770033
3-(3-methoxy-4-propoxyphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide
CID 76859005
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 78771438
(2S)-2-[3-(4-butoxy-3-methoxyphenyl)prop-2-enoylamino]-4-methylpentanoic acid
CID 175696183
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534546

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide?
The IUPAC name of 3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide (CID 4174981) is 3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide.
What is the SMILES notation for 3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide?
The canonical SMILES for 3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide is CCCCCOc1ccc(C=CC(=O)NC(C)c2ccccc2)cc1OC.
What is the InChIKey of 3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide?
The InChIKey is IKEAFBGGMQUNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-4-5-9-16-27-21-14-12-19(17-22(21)26-3)13-15-23(25)24-18(2)20-10-7-6-8-11-20/h6-8,10-15,17-18H,4-5,9,16H2,1-3H3,(H,24,25).
What are the key properties of 3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide?
3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide has a molecular weight of 367.49 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide is sourced from PubChem (CID 4174981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).