2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide

C10H19NO — CID 114618641

IUPAC2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)C(C)(C)CC
InChIInChI=1S/C10H19NO/c1-6-10(4,5)9(12)11-7-8(2)3/h2,6-7H2,1,3-5H3,(H,11,12)
InChIKeyQJBOZWDSIKUHLR-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.11
Rot. Bonds4

About 2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide

2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide (PubChem CID 114618641) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide
PubChem CID114618641
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)C(C)(C)CC
InChIInChI=1S/C10H19NO/c1-6-10(4,5)9(12)11-7-8(2)3/h2,6-7H2,1,3-5H3,(H,11,12)
InChIKeyQJBOZWDSIKUHLR-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.11
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

3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide
CID 114615978
2-amino-2-ethyl-N-(2-methylprop-2-enyl)butanamide
CID 114617063
2-(ethylamino)-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 114617159
2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid
CID 62677817
N-(2,2-dimethylpropyl)-2,2-dimethylbutanamide
CID 54381373
N-(aminomethyl)-2,2-dimethylbutanamide
CID 20688200
2-methyl-N-(2-methylprop-2-enyl)-2-phenylpropanamide
CID 114618287
2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618034
2-methylprop-2-enylurea
CID 22226516
2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 24693363
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
2,2-dimethyl-N-phenacylbutanamide
CID 64991408

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide (CID 114618641) is 2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide is C=C(C)CNC(=O)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide?
The InChIKey is QJBOZWDSIKUHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-10(4,5)9(12)11-7-8(2)3/h2,6-7H2,1,3-5H3,(H,11,12).
What are the key properties of 2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide?
2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide has a molecular weight of 169.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide is sourced from PubChem (CID 114618641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).