N-(3-hexoxybutyl)-2-methylprop-2-enamide

C14H27NO2 — CID 102118156

IUPACN-(3-hexoxybutyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(C)OCCCCCC
InChIInChI=1S/C14H27NO2/c1-5-6-7-8-11-17-13(4)9-10-15-14(16)12(2)3/h13H,2,5-11H2,1,3-4H3,(H,15,16)
InChIKeyBZEOCUANHHWLAG-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.05
Rot. Bonds10

About N-(3-hexoxybutyl)-2-methylprop-2-enamide

N-(3-hexoxybutyl)-2-methylprop-2-enamide (PubChem CID 102118156) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(3-hexoxybutyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(3-hexoxybutyl)-2-methylprop-2-enamide
PubChem CID102118156
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(3-hexoxybutyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(C)OCCCCCC
InChIInChI=1S/C14H27NO2/c1-5-6-7-8-11-17-13(4)9-10-15-14(16)12(2)3/h13H,2,5-11H2,1,3-4H3,(H,15,16)
InChIKeyBZEOCUANHHWLAG-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-icosyl-2-methylprop-2-enamide
CID 22336363
2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
2-methyl-N-(2-pentoxybutyl)prop-2-enamide
CID 102118149
2-methyl-N-(octadecoxymethyl)prop-2-enamide
CID 54316435
6-octan-2-yloxyhexan-2-one
CID 43793687
N-[3-(3-hydroxy-3-methylbutoxy)butyl]octadecanamide
CID 145405657
1-nonan-2-yloxyoctadecane
CID 88815684
1-hexan-2-yloxydecane
CID 57029724
1-octan-2-yloxydecane
CID 86220707
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
4-heptoxypentan-2-one
CID 64698347

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxybutyl)-2-methylprop-2-enamide?
The IUPAC name of N-(3-hexoxybutyl)-2-methylprop-2-enamide (CID 102118156) is N-(3-hexoxybutyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(3-hexoxybutyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(3-hexoxybutyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCC(C)OCCCCCC.
What is the InChIKey of N-(3-hexoxybutyl)-2-methylprop-2-enamide?
The InChIKey is BZEOCUANHHWLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-6-7-8-11-17-13(4)9-10-15-14(16)12(2)3/h13H,2,5-11H2,1,3-4H3,(H,15,16).
What are the key properties of N-(3-hexoxybutyl)-2-methylprop-2-enamide?
N-(3-hexoxybutyl)-2-methylprop-2-enamide has a molecular weight of 241.37 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexoxybutyl)-2-methylprop-2-enamide is sourced from PubChem (CID 102118156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).