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

C14H27NO — CID 89362793

IUPAC2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)C(C)(CC(C)(C)C)C(C)C
InChIInChI=1S/C14H27NO/c1-8-9-15-12(16)14(7,11(2)3)10-13(4,5)6/h8,11H,1,9-10H2,2-7H3,(H,15,16)
InChIKeyXFESOYQOAYUUKQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.39
Rot. Bonds5

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

2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide (PubChem CID 89362793) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide
PubChem CID89362793
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)C(C)(CC(C)(C)C)C(C)C
InChIInChI=1S/C14H27NO/c1-8-9-15-12(16)14(7,11(2)3)10-13(4,5)6/h8,11H,1,9-10H2,2-7H3,(H,15,16)
InChIKeyXFESOYQOAYUUKQ-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.39
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 2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide?
The IUPAC name of 2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide (CID 89362793) is 2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide.
What is the SMILES notation for 2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide?
The canonical SMILES for 2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide is C=CCNC(=O)C(C)(CC(C)(C)C)C(C)C.
What is the InChIKey of 2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide?
The InChIKey is XFESOYQOAYUUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-8-9-15-12(16)14(7,11(2)3)10-13(4,5)6/h8,11H,1,9-10H2,2-7H3,(H,15,16).
What are the key properties of 2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide?
2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide has a molecular weight of 225.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide is sourced from PubChem (CID 89362793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).