N-(2-hydroxy-4-methylphenyl)hept-6-ynamide

C14H17NO2 — CID 103907404

IUPACN-(2-hydroxy-4-methylphenyl)hept-6-ynamide
SMILESC#CCCCCC(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C14H17NO2/c1-3-4-5-6-7-14(17)15-12-9-8-11(2)10-13(12)16/h1,8-10,16H,4-7H2,2H3,(H,15,17)
InChIKeyPDTBBYXIEWIWLW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.83
Rot. Bonds5

About N-(2-hydroxy-4-methylphenyl)hept-6-ynamide

N-(2-hydroxy-4-methylphenyl)hept-6-ynamide (PubChem CID 103907404) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)hept-6-ynamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)hept-6-ynamide
PubChem CID103907404
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-(2-hydroxy-4-methylphenyl)hept-6-ynamide
SMILESC#CCCCCC(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C14H17NO2/c1-3-4-5-6-7-14(17)15-12-9-8-11(2)10-13(12)16/h1,8-10,16H,4-7H2,2H3,(H,15,17)
InChIKeyPDTBBYXIEWIWLW-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid
CID 22468230
N-(2-hydroxy-4-methylphenyl)pent-4-enamide
CID 62677203
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
3-(hept-6-ynoylamino)-4-methylbenzoic acid
CID 114028456
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 7979690
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
3-(hept-6-ynoylamino)-2-methylbenzoic acid
CID 114028502
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
CID 51552249
N-(2-methyl-4-pyridinyl)hept-6-ynamide
CID 123868405
2-(1-hydroxycyclopentyl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 111430326

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)hept-6-ynamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)hept-6-ynamide (CID 103907404) is N-(2-hydroxy-4-methylphenyl)hept-6-ynamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)hept-6-ynamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)hept-6-ynamide is C#CCCCCC(=O)Nc1ccc(C)cc1O.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)hept-6-ynamide?
The InChIKey is PDTBBYXIEWIWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-4-5-6-7-14(17)15-12-9-8-11(2)10-13(12)16/h1,8-10,16H,4-7H2,2H3,(H,15,17).
What are the key properties of N-(2-hydroxy-4-methylphenyl)hept-6-ynamide?
N-(2-hydroxy-4-methylphenyl)hept-6-ynamide has a molecular weight of 231.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)hept-6-ynamide is sourced from PubChem (CID 103907404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).