N-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide

C12H24N2O — CID 54378304

IUPACN-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide
SMILESCC=CC(=O)NCCC(C)(C)CN(C)C
InChIInChI=1S/C12H24N2O/c1-6-7-11(15)13-9-8-12(2,3)10-14(4)5/h6-7H,8-10H2,1-5H3,(H,13,15)
InChIKeyUYDAXZISGMHYGU-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.66
Rot. Bonds6

About N-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide

N-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide (PubChem CID 54378304) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide
PubChem CID54378304
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide
SMILESCC=CC(=O)NCCC(C)(C)CN(C)C
InChIInChI=1S/C12H24N2O/c1-6-7-11(15)13-9-8-12(2,3)10-14(4)5/h6-7H,8-10H2,1-5H3,(H,13,15)
InChIKeyUYDAXZISGMHYGU-UHFFFAOYSA-N
XLogP1.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide?
The IUPAC name of N-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide (CID 54378304) is N-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide.
What is the SMILES notation for N-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide?
The canonical SMILES for N-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide is CC=CC(=O)NCCC(C)(C)CN(C)C.
What is the InChIKey of N-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide?
The InChIKey is UYDAXZISGMHYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-6-7-11(15)13-9-8-12(2,3)10-14(4)5/h6-7H,8-10H2,1-5H3,(H,13,15).
What are the key properties of N-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide?
N-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3,3-dimethylbutyl]but-2-enamide is sourced from PubChem (CID 54378304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).