N-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide

C14H28N2O — CID 91705282

IUPACN-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CCN(CCC)CCC
InChIInChI=1S/C14H28N2O/c1-6-10-16(11-7-2)12-9-14(4,5)15-13(17)8-3/h8H,3,6-7,9-12H2,1-2,4-5H3,(H,15,17)
InChIKeyNJWJBBROOJYJRH-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.58
Rot. Bonds9

About N-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide

N-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide (PubChem CID 91705282) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide
PubChem CID91705282
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CCN(CCC)CCC
InChIInChI=1S/C14H28N2O/c1-6-10-16(11-7-2)12-9-14(4,5)15-13(17)8-3/h8H,3,6-7,9-12H2,1-2,4-5H3,(H,15,17)
InChIKeyNJWJBBROOJYJRH-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.58
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-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide?
The IUPAC name of N-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide (CID 91705282) is N-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide?
The canonical SMILES for N-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide is C=CC(=O)NC(C)(C)CCN(CCC)CCC.
What is the InChIKey of N-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide?
The InChIKey is NJWJBBROOJYJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-10-16(11-7-2)12-9-14(4,5)15-13(17)8-3/h8H,3,6-7,9-12H2,1-2,4-5H3,(H,15,17).
What are the key properties of N-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide?
N-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide has a molecular weight of 240.39 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide is sourced from PubChem (CID 91705282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).