N-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide

C17H34N2O — CID 3097419

IUPACN-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)(C)CCN(CCCC)CCCC
InChIInChI=1S/C17H34N2O/c1-7-9-12-19(13-10-8-2)14-11-17(5,6)18-16(20)15(3)4/h3,7-14H2,1-2,4-6H3,(H,18,20)
InChIKeyXTEASVFTJXTXAH-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.75
Rot. Bonds11

About N-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide

N-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide (PubChem CID 3097419) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide
PubChem CID3097419
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)(C)CCN(CCCC)CCCC
InChIInChI=1S/C17H34N2O/c1-7-9-12-19(13-10-8-2)14-11-17(5,6)18-16(20)15(3)4/h3,7-14H2,1-2,4-6H3,(H,18,20)
InChIKeyXTEASVFTJXTXAH-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.75
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-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide (CID 3097419) is N-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)(C)CCN(CCCC)CCCC.
What is the InChIKey of N-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide?
The InChIKey is XTEASVFTJXTXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-7-9-12-19(13-10-8-2)14-11-17(5,6)18-16(20)15(3)4/h3,7-14H2,1-2,4-6H3,(H,18,20).
What are the key properties of N-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide?
N-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide has a molecular weight of 282.47 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide is sourced from PubChem (CID 3097419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).