4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide

C13H25NO — CID 89151531

IUPAC4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)C(CC(C)(C)C)C(C)C
InChIInChI=1S/C13H25NO/c1-7-8-14-12(15)11(10(2)3)9-13(4,5)6/h7,10-11H,1,8-9H2,2-6H3,(H,14,15)
InChIKeyKAVCMJLRSZQQRC-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.00
Rot. Bonds5

About 4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide

4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide (PubChem CID 89151531) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide
PubChem CID89151531
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)C(CC(C)(C)C)C(C)C
InChIInChI=1S/C13H25NO/c1-7-8-14-12(15)11(10(2)3)9-13(4,5)6/h7,10-11H,1,8-9H2,2-6H3,(H,14,15)
InChIKeyKAVCMJLRSZQQRC-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.00
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 4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide?
The IUPAC name of 4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide (CID 89151531) is 4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide.
What is the SMILES notation for 4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide?
The canonical SMILES for 4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide is C=CCNC(=O)C(CC(C)(C)C)C(C)C.
What is the InChIKey of 4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide?
The InChIKey is KAVCMJLRSZQQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-7-8-14-12(15)11(10(2)3)9-13(4,5)6/h7,10-11H,1,8-9H2,2-6H3,(H,14,15).
What are the key properties of 4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide?
4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide has a molecular weight of 211.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide is sourced from PubChem (CID 89151531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).