N-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide

C11H22N2O — CID 43616288

IUPACN-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C11H22N2O/c1-6-11(14)12-7-8-13(9(2)3)10(4)5/h6,9-10H,1,7-8H2,2-5H3,(H,12,14)
InChIKeyGLQPWSOBWYWGJS-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.41
Rot. Bonds6

About N-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide

N-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide (PubChem CID 43616288) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide
PubChem CID43616288
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C11H22N2O/c1-6-11(14)12-7-8-13(9(2)3)10(4)5/h6,9-10H,1,7-8H2,2-5H3,(H,12,14)
InChIKeyGLQPWSOBWYWGJS-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.41
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-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide (CID 43616288) is N-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide is C=CC(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide?
The InChIKey is GLQPWSOBWYWGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-6-11(14)12-7-8-13(9(2)3)10(4)5/h6,9-10H,1,7-8H2,2-5H3,(H,12,14).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide?
N-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 43616288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).