2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide

C12H23NO — CID 91297383

IUPAC2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide
SMILESCCCC(C)C(=O)NC(C)C=C(C)C
InChIInChI=1S/C12H23NO/c1-6-7-10(4)12(14)13-11(5)8-9(2)3/h8,10-11H,6-7H2,1-5H3,(H,13,14)
InChIKeyPUOGGTYSBMNLQY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.89
Rot. Bonds5

About 2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide

2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide (PubChem CID 91297383) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide
PubChem CID91297383
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide
SMILESCCCC(C)C(=O)NC(C)C=C(C)C
InChIInChI=1S/C12H23NO/c1-6-7-10(4)12(14)13-11(5)8-9(2)3/h8,10-11H,6-7H2,1-5H3,(H,13,14)
InChIKeyPUOGGTYSBMNLQY-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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-methyl-N-(4-methylpent-3-en-2-yl)pentanamide?
The IUPAC name of 2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide (CID 91297383) is 2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide.
What is the SMILES notation for 2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide?
The canonical SMILES for 2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide is CCCC(C)C(=O)NC(C)C=C(C)C.
What is the InChIKey of 2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide?
The InChIKey is PUOGGTYSBMNLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-7-10(4)12(14)13-11(5)8-9(2)3/h8,10-11H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide?
2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide has a molecular weight of 197.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide is sourced from PubChem (CID 91297383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).