3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide

C22H27NO3 — CID 3433146

IUPAC3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
SMILESCCCCCCOc1ccc(C=CC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C22H27NO3/c1-3-4-5-9-16-26-20-14-12-18(17-21(20)25-2)13-15-22(24)23-19-10-7-6-8-11-19/h6-8,10-15,17H,3-5,9,16H2,1-2H3,(H,23,24)
InChIKeyXIBRNMSBULRGIK-UHFFFAOYSA-N
MW353.46 g/mol
LogP5.31
Rot. Bonds10

About 3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide

3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide (PubChem CID 3433146) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
PubChem CID3433146
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
SMILESCCCCCCOc1ccc(C=CC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C22H27NO3/c1-3-4-5-9-16-26-20-14-12-18(17-21(20)25-2)13-15-22(24)23-19-10-7-6-8-11-19/h6-8,10-15,17H,3-5,9,16H2,1-2H3,(H,23,24)
InChIKeyXIBRNMSBULRGIK-UHFFFAOYSA-N
XLogP5.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.46
LogP ≤ 55.31
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-(4-hexoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534554
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 67889825
N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 3433188
3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 4094107
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044
3-(4-hexoxy-3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 2791081
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534546
butyl 4-[[(E)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19169814
(E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 19165851
(E)-3-(4-hexoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 134814022
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2788614
hexyl 4-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoylamino]benzoate
CID 3492444

Frequently Asked Questions

What is the IUPAC name of 3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide?
The IUPAC name of 3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide (CID 3433146) is 3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide.
What is the SMILES notation for 3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide?
The canonical SMILES for 3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide is CCCCCCOc1ccc(C=CC(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of 3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide?
The InChIKey is XIBRNMSBULRGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-4-5-9-16-26-20-14-12-18(17-21(20)25-2)13-15-22(24)23-19-10-7-6-8-11-19/h6-8,10-15,17H,3-5,9,16H2,1-2H3,(H,23,24).
What are the key properties of 3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide?
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide has a molecular weight of 353.46 g/mol, XLogP of 5.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide is sourced from PubChem (CID 3433146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).