2,2-dimethyl-N-prop-2-enylbutanamide

C9H17NO — CID 20669576

IUPAC2,2-dimethyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(C)(C)CC
InChIInChI=1S/C9H17NO/c1-5-7-10-8(11)9(3,4)6-2/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyLKAJWKAPHLJEDY-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.72
Rot. Bonds4

About 2,2-dimethyl-N-prop-2-enylbutanamide

2,2-dimethyl-N-prop-2-enylbutanamide (PubChem CID 20669576) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2,2-dimethyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-prop-2-enylbutanamide
PubChem CID20669576
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2,2-dimethyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(C)(C)CC
InChIInChI=1S/C9H17NO/c1-5-7-10-8(11)9(3,4)6-2/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyLKAJWKAPHLJEDY-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-prop-2-enylbutanamide?
The IUPAC name of 2,2-dimethyl-N-prop-2-enylbutanamide (CID 20669576) is 2,2-dimethyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 2,2-dimethyl-N-prop-2-enylbutanamide?
The canonical SMILES for 2,2-dimethyl-N-prop-2-enylbutanamide is C=CCNC(=O)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-N-prop-2-enylbutanamide?
The InChIKey is LKAJWKAPHLJEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-7-10-8(11)9(3,4)6-2/h5H,1,6-7H2,2-4H3,(H,10,11).
What are the key properties of 2,2-dimethyl-N-prop-2-enylbutanamide?
2,2-dimethyl-N-prop-2-enylbutanamide has a molecular weight of 155.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 20669576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).