N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide

C13H19NO3 — CID 71990885

IUPACN-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide
SMILESCOCCCCC(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C13H19NO3/c1-10-9-11(15)6-7-12(10)14-13(16)5-3-4-8-17-2/h6-7,9,15H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyPTGPHDXPSVMTCH-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.46
Rot. Bonds6

About N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide

N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide (PubChem CID 71990885) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide
PubChem CID71990885
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide
SMILESCOCCCCC(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C13H19NO3/c1-10-9-11(15)6-7-12(10)14-13(16)5-3-4-8-17-2/h6-7,9,15H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyPTGPHDXPSVMTCH-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxy-2-methylanilino)-5-oxopentanoic acid
CID 27407074
1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea
CID 108890504
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
N-(2-amino-4-hydroxyphenyl)-3-methoxypropanamide
CID 107697634
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
3-[4-(3-methoxypropanoylamino)-3-methylphenyl]prop-2-enoic acid
CID 76946934
methyl 4-(6-bromohexanoylamino)-3-methylbenzoate
CID 69206251
N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295
4-(henicosanoylamino)-3-methylbenzoic acid
CID 12800016
N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936104
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-2-methylphenyl)propanamide
CID 108788652

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide (CID 71990885) is N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide is COCCCCC(=O)Nc1ccc(O)cc1C.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide?
The InChIKey is PTGPHDXPSVMTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-9-11(15)6-7-12(10)14-13(16)5-3-4-8-17-2/h6-7,9,15H,3-5,8H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide?
N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide has a molecular weight of 237.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide is sourced from PubChem (CID 71990885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).