N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide

C14H27NO — CID 167496329

IUPACN-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-11(2)12(16)15(14(6,7)8)10-9-13(3,4)5/h1,9-10H2,2-8H3
InChIKeyOFLJIGVNQNOVQW-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.63
Rot. Bonds3

About N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide

N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide (PubChem CID 167496329) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide
PubChem CID167496329
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-11(2)12(16)15(14(6,7)8)10-9-13(3,4)5/h1,9-10H2,2-8H3
InChIKeyOFLJIGVNQNOVQW-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-methyl-N-propylprop-2-enamide
CID 157254110
4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobut-2-enoic acid
CID 123351536
2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 87205211
N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 87313202
N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide
CID 138739134
N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
CID 58288610
N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide
CID 153499824
[3-[3,3-dimethylbutyl(methyl)amino]-2,2-dimethylpropyl] 2-methylprop-2-enoate
CID 170388193
2-methyl-N,N'-dipropylprop-2-enehydrazide
CID 87503830
N'-(3,3-dimethylbutyl)-N'-methyloxamide
CID 115192175
3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide
CID 171092778
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide?
The IUPAC name of N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide (CID 167496329) is N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide?
The canonical SMILES for N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(CCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide?
The InChIKey is OFLJIGVNQNOVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)12(16)15(14(6,7)8)10-9-13(3,4)5/h1,9-10H2,2-8H3.
What are the key properties of N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide?
N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide has a molecular weight of 225.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide is sourced from PubChem (CID 167496329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).