(E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide

C54H81N3O8 — CID 157468091

IUPAC(E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide
SMILESCc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O.Cc1cc(CNC(=O)CCCCC(=O)CC(C)C)ccc1O.Cc1cc(CNC(=O)CCCCCC(=O)C(C)C)ccc1O
InChIInChI=1S/2C18H27NO3.C18H27NO2/c1-13(2)10-16(20)6-4-5-7-18(22)19-12-15-8-9-17(21)14(3)11-15;1-13(2)16(20)7-5-4-6-8-18(22)19-12-15-9-10-17(21)14(3)11-15;1-14(2)8-6-4-5-7-9-18(21)19-13-16-10-11-17(20)15(3)12-16/h8-9,11,13,21H,4-7,10,12H2,1-3H3,(H,19,22);9-11,13,21H,4-8,12H2,1-3H3,(H,19,22);6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b;;8-6+
InChIKeyBUSBIGVGQQEDCM-MUZHYOAFSA-N
MW900.25 g/mol
LogP11.07
Rot. Bonds26

About (E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide

(E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide (PubChem CID 157468091) has the molecular formula C54H81N3O8 and a molecular weight of 900.25 g/mol. Its IUPAC name is (E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide.

Molecular Properties

Compound Name(E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide
PubChem CID157468091
Molecular FormulaC54H81N3O8
Molecular Weight900.25 g/mol
Exact Mass899.60
IUPAC Name(E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide
SMILESCc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O.Cc1cc(CNC(=O)CCCCC(=O)CC(C)C)ccc1O.Cc1cc(CNC(=O)CCCCCC(=O)C(C)C)ccc1O
InChIInChI=1S/2C18H27NO3.C18H27NO2/c1-13(2)10-16(20)6-4-5-7-18(22)19-12-15-8-9-17(21)14(3)11-15;1-13(2)16(20)7-5-4-6-8-18(22)19-12-15-9-10-17(21)14(3)11-15;1-14(2)8-6-4-5-7-9-18(21)19-13-16-10-11-17(20)15(3)12-16/h8-9,11,13,21H,4-7,10,12H2,1-3H3,(H,19,22);9-11,13,21H,4-8,12H2,1-3H3,(H,19,22);6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b;;8-6+
InChIKeyBUSBIGVGQQEDCM-MUZHYOAFSA-N
XLogP11.07
TPSA182.13 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500900.25
LogP ≤ 511.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide with MolForge

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Related Compounds

4-(aminomethyl)-2-methoxyphenol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
CID 174887976
1-(4-hydroxy-3-methylphenyl)-10-methylundecane-3,8-dione
CID 159303536
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide
CID 162817846
2-methoxy-4-[[[(E)-8-methylnon-6-enoyl]amino]methyl]benzoic acid
CID 141159434
(E)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-10-methylundec-8-en-3-one
CID 58559668
(E)-N-[[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-8-methylnon-6-enamide
CID 121355253
(E)-8,9,9,9-tetradeuterio-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-(trideuteriomethyl)non-6-enamide
CID 171391573
13-methyl-N-[[4-(2-methylpropoxymethyl)phenyl]methyl]-12-oxotetradecanamide
CID 169317139
[2-methoxy-4-[[[(Z)-8-methylnon-6-enoyl]amino]methyl]phenoxy]methyl dihydrogen phosphite
CID 145358660
[2-methoxy-4-[[[(E)-8-methylnon-6-enoyl]amino]methyl]phenoxy]methyl dihydrogen phosphite
CID 145358657
2-[[2-[[3-(4-hydroxy-3-methylphenyl)-2-(methylamino)propanoyl]amino]-3-phenylpropanoyl]amino]-6-[(9-methyl-8-oxodecanoyl)amino]hexanoic acid
CID 171107932
[2-methoxy-4-[[[(E)-8-methylnon-6-enoyl]amino]methyl]phenyl] phosphono carbonate
CID 130380968

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide?
The IUPAC name of (E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide (CID 157468091) is (E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide.
What is the SMILES notation for (E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide?
The canonical SMILES for (E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide is Cc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O.Cc1cc(CNC(=O)CCCCC(=O)CC(C)C)ccc1O.Cc1cc(CNC(=O)CCCCCC(=O)C(C)C)ccc1O.
What is the InChIKey of (E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide?
The InChIKey is BUSBIGVGQQEDCM-MUZHYOAFSA-N. The full InChI is InChI=1S/2C18H27NO3.C18H27NO2/c1-13(2)10-16(20)6-4-5-7-18(22)19-12-15-8-9-17(21)14(3)11-15;1-13(2)16(20)7-5-4-6-8-18(22)19-12-15-9-10-17(21)14(3)11-15;1-14(2)8-6-4-5-7-9-18(21)19-13-16-10-11-17(20)15(3)12-16/h8-9,11,13,21H,4-7,10,12H2,1-3H3,(H,19,22);9-11,13,21H,4-8,12H2,1-3H3,(H,19,22);6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b;;8-6+.
What are the key properties of (E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide?
(E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide has a molecular weight of 900.25 g/mol, XLogP of 11.07, 26 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-hydroxy-3-methylphenyl)methyl]-8-methylnon-6-enamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-6-oxononanamide;N-[(4-hydroxy-3-methylphenyl)methyl]-8-methyl-7-oxononanamide is sourced from PubChem (CID 157468091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).