2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide

C18H25NO3 — CID 155064659

IUPAC2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide
SMILESC=C(/C=C\CC)CN(C)C(=O)c1cc(C(C)C)c(O)cc1O
InChIInChI=1S/C18H25NO3/c1-6-7-8-13(4)11-19(5)18(22)15-9-14(12(2)3)16(20)10-17(15)21/h7-10,12,20-21H,4,6,11H2,1-3,5H3/b8-7-
InChIKeyBXYPNTJBLVOZJN-FPLPWBNLSA-N
MW303.40 g/mol
LogP3.82
Rot. Bonds6

About 2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide

2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide (PubChem CID 155064659) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide
PubChem CID155064659
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide
SMILESC=C(/C=C\CC)CN(C)C(=O)c1cc(C(C)C)c(O)cc1O
InChIInChI=1S/C18H25NO3/c1-6-7-8-13(4)11-19(5)18(22)15-9-14(12(2)3)16(20)10-17(15)21/h7-10,12,20-21H,4,6,11H2,1-3,5H3/b8-7-
InChIKeyBXYPNTJBLVOZJN-FPLPWBNLSA-N
XLogP3.82
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethyl-5-methylphenyl)methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide;N-propan-2-yl-N-propylpropan-1-amine
CID 143655301
N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide
CID 146316508
4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol
CID 143589079
N-ethyl-2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide
CID 167505961
4-hydroxy-N,2-dimethyl-N-[(2-methyloxolan-2-yl)methyl]-5-propan-2-ylbenzamide
CID 167901713
1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethanone;4-pentan-2-ylbenzene-1,3-diol
CID 143777978
acetylene;5-bromo-N-[(E)-but-2-enyl]-2,4-dihydroxy-N-methylbenzamide;(Z)-but-2-ene;ethane
CID 143322640
2-hydroxy-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968436
2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide
CID 155681438
N-ethyl-2-hydroxy-N,4-dimethylbenzamide
CID 43243493
N-ethyl-2,4-dihydroxy-N-[2-(morpholine-4-carbonyl)phenyl]-5-propan-2-ylbenzamide
CID 146316426
N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide
CID 146316512

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide?
The IUPAC name of 2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide (CID 155064659) is 2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide.
What is the SMILES notation for 2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide?
The canonical SMILES for 2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide is C=C(/C=C\CC)CN(C)C(=O)c1cc(C(C)C)c(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide?
The InChIKey is BXYPNTJBLVOZJN-FPLPWBNLSA-N. The full InChI is InChI=1S/C18H25NO3/c1-6-7-8-13(4)11-19(5)18(22)15-9-14(12(2)3)16(20)10-17(15)21/h7-10,12,20-21H,4,6,11H2,1-3,5H3/b8-7-.
What are the key properties of 2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide?
2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide has a molecular weight of 303.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-methyl-N-[(Z)-2-methylidenehex-3-enyl]-5-propan-2-ylbenzamide is sourced from PubChem (CID 155064659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).