N-tert-butyl-2-propan-2-ylpent-4-enamide

C12H23NO — CID 20790242

IUPACN-tert-butyl-2-propan-2-ylpent-4-enamide
SMILESC=CCC(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C12H23NO/c1-7-8-10(9(2)3)11(14)13-12(4,5)6/h7,9-10H,1,8H2,2-6H3,(H,13,14)
InChIKeySRHDAHJBPQNYQJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.75
Rot. Bonds4

About N-tert-butyl-2-propan-2-ylpent-4-enamide

N-tert-butyl-2-propan-2-ylpent-4-enamide (PubChem CID 20790242) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-tert-butyl-2-propan-2-ylpent-4-enamide.

Molecular Properties

Compound NameN-tert-butyl-2-propan-2-ylpent-4-enamide
PubChem CID20790242
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-tert-butyl-2-propan-2-ylpent-4-enamide
SMILESC=CCC(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C12H23NO/c1-7-8-10(9(2)3)11(14)13-12(4,5)6/h7,9-10H,1,8H2,2-6H3,(H,13,14)
InChIKeySRHDAHJBPQNYQJ-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.75
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

N-tert-butylpent-4-enamide
CID 59409481
N-(1-fluoro-2-methylhex-5-en-2-yl)-2-methylpropanamide
CID 156371120
2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
CID 15032156
N-(4-Methyl-5-oxo-1-hepten-4-yl)acetamide
CID 45119311
N-tert-Butyl-2,2-dimethylpent-4-enamide
CID 71378995
N-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide
CID 131084626
N-(2-methylhex-5-en-2-yl)acetamide
CID 12264015
N-tert-butylhex-5-enamide
CID 15640339
(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide
CID 20790185
N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide
CID 20790186
N-tert-butyl-4-methyl-2-prop-2-enylpent-4-enamide
CID 20790194
N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide
CID 20790233

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-propan-2-ylpent-4-enamide?
The IUPAC name of N-tert-butyl-2-propan-2-ylpent-4-enamide (CID 20790242) is N-tert-butyl-2-propan-2-ylpent-4-enamide.
What is the SMILES notation for N-tert-butyl-2-propan-2-ylpent-4-enamide?
The canonical SMILES for N-tert-butyl-2-propan-2-ylpent-4-enamide is C=CCC(C(=O)NC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-2-propan-2-ylpent-4-enamide?
The InChIKey is SRHDAHJBPQNYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-7-8-10(9(2)3)11(14)13-12(4,5)6/h7,9-10H,1,8H2,2-6H3,(H,13,14).
What are the key properties of N-tert-butyl-2-propan-2-ylpent-4-enamide?
N-tert-butyl-2-propan-2-ylpent-4-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-propan-2-ylpent-4-enamide is sourced from PubChem (CID 20790242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).