N-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide

C15H29NO2 — CID 142381966

IUPACN-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCOC(CC)CC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-7-13(11-15(4,5)6)18-10-8-9-16-14(17)12(2)3/h13H,2,7-11H2,1,3-6H3,(H,16,17)
InChIKeyXYHJTLWYIDMBIM-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.30
Rot. Bonds8

About N-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide

N-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide (PubChem CID 142381966) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide
PubChem CID142381966
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCOC(CC)CC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-7-13(11-15(4,5)6)18-10-8-9-16-14(17)12(2)3/h13H,2,7-11H2,1,3-6H3,(H,16,17)
InChIKeyXYHJTLWYIDMBIM-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.30
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

tert-butyl 2-methyl-4-[3-(2-methylprop-2-enoylamino)propoxy]hexanoate;methane;2-methyl-4-[3-(2-methylprop-2-enoylamino)propoxy]hexanoic acid
CID 158578500
2-methyl-N-(2-pentoxybutyl)prop-2-enamide
CID 102118149
tert-butyl 2-tert-butyl-4,4,5,5,8,8-hexamethyl-6-[3-(2-methylprop-2-enoylamino)propoxy]nonanoate
CID 166783620
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657
3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate
CID 87094013
2-ethyl-3,3-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]-2-propan-2-ylbutanamide
CID 170180850
tert-butyl 2-[3-(2-methylprop-2-enoylamino)propylamino]-2-oxoacetate
CID 141288067
2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
N-(3-hexoxybutyl)-2-methylprop-2-enamide
CID 102118156
N-icosyl-2-methylprop-2-enamide
CID 22336363
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
4-(2-methylprop-2-enoylamino)butyl acetate
CID 87413342

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide (CID 142381966) is N-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCOC(CC)CC(C)(C)C.
What is the InChIKey of N-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide?
The InChIKey is XYHJTLWYIDMBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-7-13(11-15(4,5)6)18-10-8-9-16-14(17)12(2)3/h13H,2,7-11H2,1,3-6H3,(H,16,17).
What are the key properties of N-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide?
N-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide has a molecular weight of 255.40 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 142381966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).