N-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide

C18H33NO — CID 58801036

IUPACN-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide
SMILESCC(C)=C(C(=O)N(C(=C(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C18H33NO/c1-11(2)16(12(3)4)18(20)19(15(9)10)17(13(5)6)14(7)8/h11,13,15H,1-10H3
InChIKeyWSCCMOGCOYQRSG-UHFFFAOYSA-N
MW279.47 g/mol
LogP5.17
Rot. Bonds5

About N-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide

N-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide (PubChem CID 58801036) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide.

Molecular Properties

Compound NameN-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide
PubChem CID58801036
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide
SMILESCC(C)=C(C(=O)N(C(=C(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C18H33NO/c1-11(2)16(12(3)4)18(20)19(15(9)10)17(13(5)6)14(7)8/h11,13,15H,1-10H3
InChIKeyWSCCMOGCOYQRSG-UHFFFAOYSA-N
XLogP5.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.47
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide?
The IUPAC name of N-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide (CID 58801036) is N-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide.
What is the SMILES notation for N-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide?
The canonical SMILES for N-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide is CC(C)=C(C(=O)N(C(=C(C)C)C(C)C)C(C)C)C(C)C.
What is the InChIKey of N-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide?
The InChIKey is WSCCMOGCOYQRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-11(2)16(12(3)4)18(20)19(15(9)10)17(13(5)6)14(7)8/h11,13,15H,1-10H3.
What are the key properties of N-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide?
N-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide has a molecular weight of 279.47 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpent-2-en-3-yl)-3-methyl-N,2-di(propan-2-yl)but-2-enamide is sourced from PubChem (CID 58801036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).