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

C11H21NO — CID 166713850

IUPAC2,2,4-trimethyl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)C(C)(C)CC(C)C
InChIInChI=1S/C11H21NO/c1-6-7-12-10(13)11(4,5)8-9(2)3/h6,9H,1,7-8H2,2-5H3,(H,12,13)
InChIKeyBQDYTSLUGVUPOL-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.36
Rot. Bonds5

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

2,2,4-trimethyl-N-prop-2-enylpentanamide (PubChem CID 166713850) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,2,4-trimethyl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name2,2,4-trimethyl-N-prop-2-enylpentanamide
PubChem CID166713850
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,2,4-trimethyl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)C(C)(C)CC(C)C
InChIInChI=1S/C11H21NO/c1-6-7-12-10(13)11(4,5)8-9(2)3/h6,9H,1,7-8H2,2-5H3,(H,12,13)
InChIKeyBQDYTSLUGVUPOL-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.36
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

ethane;N,2,2,4-tetramethylpentanamide
CID 143818563
2,2,4-trimethyl-N-propan-2-ylpentanamide
CID 126707660
2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid
CID 61341230
N',2,2,4-tetramethylpentanehydrazide
CID 116847123
2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride
CID 119431228
4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid
CID 120688025
2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide
CID 135129548
N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide
CID 71671966
2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide
CID 156569078
2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 102442932
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
hydron;1-(2-methylpropyl)-3-prop-2-enylurea
CID 174433469

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-N-prop-2-enylpentanamide?
The IUPAC name of 2,2,4-trimethyl-N-prop-2-enylpentanamide (CID 166713850) is 2,2,4-trimethyl-N-prop-2-enylpentanamide.
What is the SMILES notation for 2,2,4-trimethyl-N-prop-2-enylpentanamide?
The canonical SMILES for 2,2,4-trimethyl-N-prop-2-enylpentanamide is C=CCNC(=O)C(C)(C)CC(C)C.
What is the InChIKey of 2,2,4-trimethyl-N-prop-2-enylpentanamide?
The InChIKey is BQDYTSLUGVUPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-7-12-10(13)11(4,5)8-9(2)3/h6,9H,1,7-8H2,2-5H3,(H,12,13).
What are the key properties of 2,2,4-trimethyl-N-prop-2-enylpentanamide?
2,2,4-trimethyl-N-prop-2-enylpentanamide has a molecular weight of 183.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-N-prop-2-enylpentanamide is sourced from PubChem (CID 166713850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).