N-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide

C15H29NO — CID 87160091

IUPACN-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-11(2)13(17)16-10-12(15(6,7)8)9-14(3,4)5/h12H,1,9-10H2,2-8H3,(H,16,17)
InChIKeyNGMQXRCRIRDZBA-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.78
Rot. Bonds4

About N-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide

N-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide (PubChem CID 87160091) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide
PubChem CID87160091
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-11(2)13(17)16-10-12(15(6,7)8)9-14(3,4)5/h12H,1,9-10H2,2-8H3,(H,16,17)
InChIKeyNGMQXRCRIRDZBA-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
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-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide (CID 87160091) is N-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide?
The InChIKey is NGMQXRCRIRDZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11(2)13(17)16-10-12(15(6,7)8)9-14(3,4)5/h12H,1,9-10H2,2-8H3,(H,16,17).
What are the key properties of N-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide?
N-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide has a molecular weight of 239.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4,4-dimethylpentyl)-2-methylprop-2-enamide is sourced from PubChem (CID 87160091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).