2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide

C29H49NO3 — CID 70402625

IUPAC2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide
SMILESCCCCCCCCC/C=C/CCCCCCC(C)NC(=O)C(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C29H49NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2)30-29(32)25(3)26-21-22-27(31)28(23-26)33-4/h13-14,21-25,31H,5-12,15-20H2,1-4H3,(H,30,32)/b14-13+
InChIKeyTZGSNADNOFQYFL-BUHFOSPRSA-N
MW459.72 g/mol
LogP8.05
Rot. Bonds19

About 2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide

2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide (PubChem CID 70402625) has the molecular formula C29H49NO3 and a molecular weight of 459.72 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide
PubChem CID70402625
Molecular FormulaC29H49NO3
Molecular Weight459.72 g/mol
Exact Mass459.37
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide
SMILESCCCCCCCCC/C=C/CCCCCCC(C)NC(=O)C(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C29H49NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2)30-29(32)25(3)26-21-22-27(31)28(23-26)33-4/h13-14,21-25,31H,5-12,15-20H2,1-4H3,(H,30,32)/b14-13+
InChIKeyTZGSNADNOFQYFL-BUHFOSPRSA-N
XLogP8.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.72
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide
CID 57346587
N-hydroxy-2-(4-hydroxy-3-methoxyphenyl)decanamide
CID 123800302
4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097
1-(4-hydroxy-3-methoxyphenyl)nonadec-10-en-1-one
CID 68578323
2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide
CID 123770580
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-octan-2-ylpropanamide
CID 86885856
4-hexan-2-yl-2-methoxyphenol
CID 10285881
N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 57250205
(Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide
CID 66562707
2-(3,4-dihydroxyphenyl)-N-octylpropanamide
CID 139641564
2-(3,4-dihydroxyphenyl)-N-hexylpropanamide
CID 67829900
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide (CID 70402625) is 2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide is CCCCCCCCC/C=C/CCCCCCC(C)NC(=O)C(C)c1ccc(O)c(OC)c1.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide?
The InChIKey is TZGSNADNOFQYFL-BUHFOSPRSA-N. The full InChI is InChI=1S/C29H49NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2)30-29(32)25(3)26-21-22-27(31)28(23-26)33-4/h13-14,21-25,31H,5-12,15-20H2,1-4H3,(H,30,32)/b14-13+.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide?
2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide has a molecular weight of 459.72 g/mol, XLogP of 8.05, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide is sourced from PubChem (CID 70402625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).