2-methyl-N,N-di(propan-2-yl)prop-2-enamide

C10H19NO — CID 12947886

IUPAC2-methyl-N,N-di(propan-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C10H19NO/c1-7(2)10(12)11(8(3)4)9(5)6/h8-9H,1H2,2-6H3
InChIKeyVAASJZAOHDHRSY-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds3

About 2-methyl-N,N-di(propan-2-yl)prop-2-enamide

2-methyl-N,N-di(propan-2-yl)prop-2-enamide (PubChem CID 12947886) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-N,N-di(propan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N,N-di(propan-2-yl)prop-2-enamide
PubChem CID12947886
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-N,N-di(propan-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C10H19NO/c1-7(2)10(12)11(8(3)4)9(5)6/h8-9H,1H2,2-6H3
InChIKeyVAASJZAOHDHRSY-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-di(propan-2-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N,N-di(propan-2-yl)prop-2-enamide (CID 12947886) is 2-methyl-N,N-di(propan-2-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N,N-di(propan-2-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N,N-di(propan-2-yl)prop-2-enamide is C=C(C)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-methyl-N,N-di(propan-2-yl)prop-2-enamide?
The InChIKey is VAASJZAOHDHRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)10(12)11(8(3)4)9(5)6/h8-9H,1H2,2-6H3.
What are the key properties of 2-methyl-N,N-di(propan-2-yl)prop-2-enamide?
2-methyl-N,N-di(propan-2-yl)prop-2-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-di(propan-2-yl)prop-2-enamide is sourced from PubChem (CID 12947886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).