2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide

C12H23NO — CID 87898027

IUPAC2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(C)(C(C)C)C(C)C
InChIInChI=1S/C12H23NO/c1-7-8-13-11(14)12(6,9(2)3)10(4)5/h7,9-10H,1,8H2,2-6H3,(H,13,14)
InChIKeyKZZWMNLJMWJIFP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.61
Rot. Bonds5

About 2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide

2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide (PubChem CID 87898027) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide
PubChem CID87898027
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(C)(C(C)C)C(C)C
InChIInChI=1S/C12H23NO/c1-7-8-13-11(14)12(6,9(2)3)10(4)5/h7,9-10H,1,8H2,2-6H3,(H,13,14)
InChIKeyKZZWMNLJMWJIFP-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.61
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 2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide?
The IUPAC name of 2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide (CID 87898027) is 2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide.
What is the SMILES notation for 2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide?
The canonical SMILES for 2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide is C=CCNC(=O)C(C)(C(C)C)C(C)C.
What is the InChIKey of 2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide?
The InChIKey is KZZWMNLJMWJIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-7-8-13-11(14)12(6,9(2)3)10(4)5/h7,9-10H,1,8H2,2-6H3,(H,13,14).
What are the key properties of 2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide?
2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide has a molecular weight of 197.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide is sourced from PubChem (CID 87898027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).