(2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide

C13H25NO — CID 88991997

IUPAC(2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide
SMILESC/C=C(\C)CNC(=O)[C@H](C)C(C)(C)CC
InChIInChI=1S/C13H25NO/c1-7-10(3)9-14-12(15)11(4)13(5,6)8-2/h7,11H,8-9H2,1-6H3,(H,14,15)/b10-7+/t11-/m0/s1
InChIKeyKBEPDGRFOVZRRF-HUYFXPKMSA-N
MW211.35 g/mol
LogP3.14
Rot. Bonds5

About (2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide

(2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide (PubChem CID 88991997) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide.

Molecular Properties

Compound Name(2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide
PubChem CID88991997
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide
SMILESC/C=C(\C)CNC(=O)[C@H](C)C(C)(C)CC
InChIInChI=1S/C13H25NO/c1-7-10(3)9-14-12(15)11(4)13(5,6)8-2/h7,11H,8-9H2,1-6H3,(H,14,15)/b10-7+/t11-/m0/s1
InChIKeyKBEPDGRFOVZRRF-HUYFXPKMSA-N
XLogP3.14
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 ≤ 53.14
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 (2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide?
The IUPAC name of (2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide (CID 88991997) is (2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide.
What is the SMILES notation for (2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide?
The canonical SMILES for (2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide is C/C=C(\C)CNC(=O)[C@H](C)C(C)(C)CC.
What is the InChIKey of (2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide?
The InChIKey is KBEPDGRFOVZRRF-HUYFXPKMSA-N. The full InChI is InChI=1S/C13H25NO/c1-7-10(3)9-14-12(15)11(4)13(5,6)8-2/h7,11H,8-9H2,1-6H3,(H,14,15)/b10-7+/t11-/m0/s1.
What are the key properties of (2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide?
(2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide has a molecular weight of 211.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide is sourced from PubChem (CID 88991997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).