N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide

C17H27NO3 — CID 103919173

IUPACN-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NCCCCCCO)c1
InChIInChI=1S/C17H27NO3/c1-15-8-6-9-16(14-15)21-13-7-10-17(20)18-11-4-2-3-5-12-19/h6,8-9,14,19H,2-5,7,10-13H2,1H3,(H,18,20)
InChIKeyFTSGCSOGLQAOLF-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.82
Rot. Bonds11

About N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide

N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide (PubChem CID 103919173) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
PubChem CID103919173
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NCCCCCCO)c1
InChIInChI=1S/C17H27NO3/c1-15-8-6-9-16(14-15)21-13-7-10-17(20)18-11-4-2-3-5-12-19/h6,8-9,14,19H,2-5,7,10-13H2,1H3,(H,18,20)
InChIKeyFTSGCSOGLQAOLF-UHFFFAOYSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide
CID 78782902
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 55023975
N-(4-hydroxy-2-methylbutyl)-4-(3-methylphenoxy)butanamide
CID 66107103
N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46438274
4-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)butanamide
CID 78786017
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methylphenoxy)butanamide
CID 104858238
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43428089
N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide
CID 110288608

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide (CID 103919173) is N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide is Cc1cccc(OCCCC(=O)NCCCCCCO)c1.
What is the InChIKey of N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide?
The InChIKey is FTSGCSOGLQAOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-15-8-6-9-16(14-15)21-13-7-10-17(20)18-11-4-2-3-5-12-19/h6,8-9,14,19H,2-5,7,10-13H2,1H3,(H,18,20).
What are the key properties of N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide?
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide has a molecular weight of 293.41 g/mol, XLogP of 2.82, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 103919173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).