N-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide

C31H43NO3 — CID 127046377

IUPACN-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide
SMILESC=CCc1cc(NC(=O)CCCCCCCCCCC)c(O)c(-c2ccc(OC)c(CC=C)c2)c1
InChIInChI=1S/C31H43NO3/c1-5-8-9-10-11-12-13-14-15-18-30(33)32-28-22-24(16-6-2)21-27(31(28)34)25-19-20-29(35-4)26(23-25)17-7-3/h6-7,19-23,34H,2-3,5,8-18H2,1,4H3,(H,32,33)
InChIKeyNAHYXTNGZDBTGC-UHFFFAOYSA-N
MW477.69 g/mol
LogP8.38
Rot. Bonds17

About N-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide

N-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide (PubChem CID 127046377) has the molecular formula C31H43NO3 and a molecular weight of 477.69 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide
PubChem CID127046377
Molecular FormulaC31H43NO3
Molecular Weight477.69 g/mol
Exact Mass477.32
IUPAC NameN-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide
SMILESC=CCc1cc(NC(=O)CCCCCCCCCCC)c(O)c(-c2ccc(OC)c(CC=C)c2)c1
InChIInChI=1S/C31H43NO3/c1-5-8-9-10-11-12-13-14-15-18-30(33)32-28-22-24(16-6-2)21-27(31(28)34)25-19-20-29(35-4)26(23-25)17-7-3/h6-7,19-23,34H,2-3,5,8-18H2,1,4H3,(H,32,33)
InChIKeyNAHYXTNGZDBTGC-UHFFFAOYSA-N
XLogP8.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.69
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide
CID 166453549
[2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenyl] acetate
CID 45269977
4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 155030696
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
4-(2-methoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 11857938
[2-(4-hydroxy-3-nitro-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] dodecanoate
CID 155683028
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol
CID 53392956
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
[2-(hexylamino)-2-oxoethyl]-[2-[2-[4-[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]ethoxy]-3-prop-2-enylphenyl]-4-prop-2-enylphenoxy]ethyl]-dimethylazanium dibromide
CID 164612806

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide?
The IUPAC name of N-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide (CID 127046377) is N-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide is C=CCc1cc(NC(=O)CCCCCCCCCCC)c(O)c(-c2ccc(OC)c(CC=C)c2)c1.
What is the InChIKey of N-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide?
The InChIKey is NAHYXTNGZDBTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43NO3/c1-5-8-9-10-11-12-13-14-15-18-30(33)32-28-22-24(16-6-2)21-27(31(28)34)25-19-20-29(35-4)26(23-25)17-7-3/h6-7,19-23,34H,2-3,5,8-18H2,1,4H3,(H,32,33).
What are the key properties of N-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide?
N-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide has a molecular weight of 477.69 g/mol, XLogP of 8.38, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide is sourced from PubChem (CID 127046377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).