(E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide

C18H27NO3 — CID 66589228

IUPAC(E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide
SMILESCC/C=C/CCC[C@H](C)C(=O)NCc1ccc(O)c(OC)c1
InChIInChI=1S/C18H27NO3/c1-4-5-6-7-8-9-14(2)18(21)19-13-15-10-11-16(20)17(12-15)22-3/h5-6,10-12,14,20H,4,7-9,13H2,1-3H3,(H,19,21)/b6-5+/t14-/m0/s1
InChIKeyRVWDXTIDSURKKB-GJBLVYBDSA-N
MW305.42 g/mol
LogP3.79
Rot. Bonds9

About (E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide

(E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide (PubChem CID 66589228) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide.

Molecular Properties

Compound Name(E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide
PubChem CID66589228
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide
SMILESCC/C=C/CCC[C@H](C)C(=O)NCc1ccc(O)c(OC)c1
InChIInChI=1S/C18H27NO3/c1-4-5-6-7-8-9-14(2)18(21)19-13-15-10-11-16(20)17(12-15)22-3/h5-6,10-12,14,20H,4,7-9,13H2,1-3H3,(H,19,21)/b6-5+/t14-/m0/s1
InChIKeyRVWDXTIDSURKKB-GJBLVYBDSA-N
XLogP3.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.79
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

(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-phenylnon-6-enamide
CID 69254787
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
CID 10027004
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide
CID 162817846
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide
CID 80542148
4-(aminomethyl)-2-methoxyphenol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
CID 174887976
3-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 112522401
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (E)-pent-2-enoate
CID 9063287
(E)-8,9,9,9-tetradeuterio-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-(trideuteriomethyl)non-6-enamide
CID 171391573
ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol
CID 174965538
N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-ynamide
CID 156856948
2-benzylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
CID 51087014

Frequently Asked Questions

What is the IUPAC name of (E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide?
The IUPAC name of (E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide (CID 66589228) is (E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide.
What is the SMILES notation for (E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide?
The canonical SMILES for (E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide is CC/C=C/CCC[C@H](C)C(=O)NCc1ccc(O)c(OC)c1.
What is the InChIKey of (E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide?
The InChIKey is RVWDXTIDSURKKB-GJBLVYBDSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-5-6-7-8-9-14(2)18(21)19-13-15-10-11-16(20)17(12-15)22-3/h5-6,10-12,14,20H,4,7-9,13H2,1-3H3,(H,19,21)/b6-5+/t14-/m0/s1.
What are the key properties of (E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide?
(E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide has a molecular weight of 305.42 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide is sourced from PubChem (CID 66589228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).