N-(2,2-dimethylhexyl)-2-methylprop-2-enamide

C12H23NO — CID 129167634

IUPACN-(2,2-dimethylhexyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(C)(C)CCCC
InChIInChI=1S/C12H23NO/c1-6-7-8-12(4,5)9-13-11(14)10(2)3/h2,6-9H2,1,3-5H3,(H,13,14)
InChIKeyYENQAFLVIZXHBG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.90
Rot. Bonds6

About N-(2,2-dimethylhexyl)-2-methylprop-2-enamide

N-(2,2-dimethylhexyl)-2-methylprop-2-enamide (PubChem CID 129167634) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(2,2-dimethylhexyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2,2-dimethylhexyl)-2-methylprop-2-enamide
PubChem CID129167634
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(2,2-dimethylhexyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(C)(C)CCCC
InChIInChI=1S/C12H23NO/c1-6-7-8-12(4,5)9-13-11(14)10(2)3/h2,6-9H2,1,3-5H3,(H,13,14)
InChIKeyYENQAFLVIZXHBG-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
CID 3018570
N-icosyl-2-methylprop-2-enamide
CID 22336363
N-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide
CID 129033365
N-[2-(tert-butylamino)-3-(2-methylprop-2-enoylamino)-2-[(2-methylprop-2-enoylamino)methyl]propyl]-2-methylprop-2-enamide
CID 58422255
N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid
CID 159640819
N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605551
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419
N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide
CID 88853060
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
3-[(2-methylprop-2-enoylamino)methyl]pentan-3-ylphosphonic acid
CID 87115726
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylhexyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2,2-dimethylhexyl)-2-methylprop-2-enamide (CID 129167634) is N-(2,2-dimethylhexyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2,2-dimethylhexyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2,2-dimethylhexyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC(C)(C)CCCC.
What is the InChIKey of N-(2,2-dimethylhexyl)-2-methylprop-2-enamide?
The InChIKey is YENQAFLVIZXHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-7-8-12(4,5)9-13-11(14)10(2)3/h2,6-9H2,1,3-5H3,(H,13,14).
What are the key properties of N-(2,2-dimethylhexyl)-2-methylprop-2-enamide?
N-(2,2-dimethylhexyl)-2-methylprop-2-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylhexyl)-2-methylprop-2-enamide is sourced from PubChem (CID 129167634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).