4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide

C13H24N2O2 — CID 123847426

IUPAC4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide
SMILESCNC(=O)C(C)(C)CCNC(=O)C(C)=C(C)C
InChIInChI=1S/C13H24N2O2/c1-9(2)10(3)11(16)15-8-7-13(4,5)12(17)14-6/h7-8H2,1-6H3,(H,14,17)(H,15,16)
InChIKeyGNKDPBRJNIQNRP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.62
Rot. Bonds5

About 4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide

4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide (PubChem CID 123847426) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide.

Molecular Properties

Compound Name4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide
PubChem CID123847426
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide
SMILESCNC(=O)C(C)(C)CCNC(=O)C(C)=C(C)C
InChIInChI=1S/C13H24N2O2/c1-9(2)10(3)11(16)15-8-7-13(4,5)12(17)14-6/h7-8H2,1-6H3,(H,14,17)(H,15,16)
InChIKeyGNKDPBRJNIQNRP-UHFFFAOYSA-N
XLogP1.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide?
The IUPAC name of 4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide (CID 123847426) is 4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide.
What is the SMILES notation for 4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide?
The canonical SMILES for 4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide is CNC(=O)C(C)(C)CCNC(=O)C(C)=C(C)C.
What is the InChIKey of 4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide?
The InChIKey is GNKDPBRJNIQNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)10(3)11(16)15-8-7-13(4,5)12(17)14-6/h7-8H2,1-6H3,(H,14,17)(H,15,16).
What are the key properties of 4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide?
4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide has a molecular weight of 240.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbut-2-enoylamino)-N,2,2-trimethylbutanamide is sourced from PubChem (CID 123847426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).