2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide

C13H25NO — CID 123780328

IUPAC2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide
SMILESCC=C(C)CNC(=O)C(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)
InChIKeyKBEPDGRFOVZRRF-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.14
Rot. Bonds5

About 2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide

2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide (PubChem CID 123780328) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide.

Molecular Properties

Compound Name2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide
PubChem CID123780328
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide
SMILESCC=C(C)CNC(=O)C(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)
InChIKeyKBEPDGRFOVZRRF-UHFFFAOYSA-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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Related Compounds

Valeramide, N-allyl-2-propyl-
CID 211203
3,3,4-Trimethyl-N-(3-methylbutyl)pentanamide
CID 71386918
3,3,4-Trimethyl-N-(2-methylbutyl)pentanamide
CID 71386919
Cyclopentanecarboxamide, N-methallyl-
CID 91695769
N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18712264
3-methyl-N-[(E)-2-methylbut-2-enyl]butanamide
CID 57610093
(2S)-2-methyl-N-[(E)-2-methylbut-2-enyl]butanamide
CID 58163502
(2S)-2,4-dimethyl-N-prop-2-enylpentanamide
CID 59955315
N-(4,4-dimethylpent-2-enyl)-4,4-dimethylpentanamide
CID 60067725
N-ethyl-3,4,4-trimethylpentanamide
CID 63821019
N-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide
CID 87160091
2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide
CID 87898027

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide?
The IUPAC name of 2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide (CID 123780328) is 2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide.
What is the SMILES notation for 2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide?
The canonical SMILES for 2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide is CC=C(C)CNC(=O)C(C)C(C)(C)CC.
What is the InChIKey of 2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide?
The InChIKey is KBEPDGRFOVZRRF-UHFFFAOYSA-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).
What are the key properties of 2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide?
2,3,3-trimethyl-N-(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 2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide is sourced from PubChem (CID 123780328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).