2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide

C17H33NO — CID 89122831

IUPAC2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
SMILESCC(C)=CC(C)(C(=O)N(C(C)C)C(C)C)C(C)(C)C
InChIInChI=1S/C17H33NO/c1-12(2)11-17(10,16(7,8)9)15(19)18(13(3)4)14(5)6/h11,13-14H,1-10H3
InChIKeyXUODAPKMKFLTON-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.65
Rot. Bonds4

About 2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide

2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide (PubChem CID 89122831) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide.

Molecular Properties

Compound Name2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
PubChem CID89122831
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
SMILESCC(C)=CC(C)(C(=O)N(C(C)C)C(C)C)C(C)(C)C
InChIInChI=1S/C17H33NO/c1-12(2)11-17(10,16(7,8)9)15(19)18(13(3)4)14(5)6/h11,13-14H,1-10H3
InChIKeyXUODAPKMKFLTON-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide
CID 88877368
2,2,3,3-tetramethyl-N,N-di(propan-2-yl)butanamide
CID 58799213
2-hydroxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 87664251
2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide
CID 3470893
2-(2-tert-butyl-2,4-dimethylpent-3-enoyl)oxyethanesulfonic acid
CID 89046420
2-(2-tert-butyl-2,4-dimethylpent-3-enoyl)oxy-1,1-difluoroethanesulfonic acid
CID 89310069
2-(2-tert-butyl-2,4-dimethylpent-3-enoyl)oxyethoxy-hydroxy-oxophosphanium
CID 88951585
2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 89235047
(Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide
CID 89154039
2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide
CID 71673125
[(7R)-3-hydroxy-1-adamantyl] 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 71187774
(Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
CID 14921251

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide?
The IUPAC name of 2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide (CID 89122831) is 2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide.
What is the SMILES notation for 2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide?
The canonical SMILES for 2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide is CC(C)=CC(C)(C(=O)N(C(C)C)C(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide?
The InChIKey is XUODAPKMKFLTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-12(2)11-17(10,16(7,8)9)15(19)18(13(3)4)14(5)6/h11,13-14H,1-10H3.
What are the key properties of 2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide?
2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide has a molecular weight of 267.46 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide is sourced from PubChem (CID 89122831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).