(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide

C19H29NO3 — CID 6442566

IUPAC(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide
SMILESCOc1cc(CNC(=O)CCCCC/C=C/C(C)C)ccc1O
InChIInChI=1S/C19H29NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+
InChIKeyJKIHLSTUOQHAFF-VQHVLOKHSA-N
MW319.45 g/mol
LogP4.18
Rot. Bonds10

About (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide

(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide (PubChem CID 6442566) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide.

Molecular Properties

Compound Name(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide
PubChem CID6442566
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide
SMILESCOc1cc(CNC(=O)CCCCC/C=C/C(C)C)ccc1O
InChIInChI=1S/C19H29NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+
InChIKeyJKIHLSTUOQHAFF-VQHVLOKHSA-N
XLogP4.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.18
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

Capsaicin
CID 1548943
Nonivamide
CID 2998
Dihydrocapsaicin
CID 107982
Ethamivan
CID 9363
Olvanil
CID 5311093
Zucapsaicin
CID 1548942
Arvanil
CID 6449767
Feruloyltyramine
CID 5280537
Nordihydrocapsaicin
CID 168836
N-Oleoyldopamine
CID 5282106
Bis-ferulamidobutane
CID 5321825
N-Acetyl-3,4-dimethoxyphenethylamine
CID 80465

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide?
The IUPAC name of (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide (CID 6442566) is (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide.
What is the SMILES notation for (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide?
The canonical SMILES for (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide is COc1cc(CNC(=O)CCCCC/C=C/C(C)C)ccc1O.
What is the InChIKey of (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide?
The InChIKey is JKIHLSTUOQHAFF-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H29NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+.
What are the key properties of (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide?
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide has a molecular weight of 319.45 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide is sourced from PubChem (CID 6442566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).