2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide

C18H30N2O2 — CID 138613909

IUPAC2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide
SMILESCNC(=O)CNCCCc1ccccc1CCCCCCO
InChIInChI=1S/C18H30N2O2/c1-19-18(22)15-20-13-8-12-17-11-6-5-10-16(17)9-4-2-3-7-14-21/h5-6,10-11,20-21H,2-4,7-9,12-15H2,1H3,(H,19,22)
InChIKeyMJSHXANFBUEVGH-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.05
Rot. Bonds12

About 2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide

2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide (PubChem CID 138613909) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide
PubChem CID138613909
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide
SMILESCNC(=O)CNCCCc1ccccc1CCCCCCO
InChIInChI=1S/C18H30N2O2/c1-19-18(22)15-20-13-8-12-17-11-6-5-10-16(17)9-4-2-3-7-14-21/h5-6,10-11,20-21H,2-4,7-9,12-15H2,1H3,(H,19,22)
InChIKeyMJSHXANFBUEVGH-UHFFFAOYSA-N
XLogP2.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxybutyl)phenyl]acetamide
CID 105460610
3-[2-(5-hydroxypentyl)phenyl]propanoic acid
CID 19921971
3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium
CID 89463085
ethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide
CID 156866580
6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide
CID 101051335
1-[2-(4-hydroxybutyl)phenyl]ethanone
CID 14995224
N-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butanamide
CID 63892682
2-(4-hydroxybutylamino)-1-phenylethanone
CID 15748500
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
2-[(6-hydroxyhexylamino)methyl]phenol
CID 82678109
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide?
The IUPAC name of 2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide (CID 138613909) is 2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide?
The canonical SMILES for 2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide is CNC(=O)CNCCCc1ccccc1CCCCCCO.
What is the InChIKey of 2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide?
The InChIKey is MJSHXANFBUEVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-19-18(22)15-20-13-8-12-17-11-6-5-10-16(17)9-4-2-3-7-14-21/h5-6,10-11,20-21H,2-4,7-9,12-15H2,1H3,(H,19,22).
What are the key properties of 2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide?
2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide has a molecular weight of 306.45 g/mol, XLogP of 2.05, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide is sourced from PubChem (CID 138613909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).