4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide

C16H32N2O2 — CID 118297973

IUPAC4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide
SMILESCCC(CC(C)C(=O)NC(C)(C)CC(C)(C)C)NC=O
InChIInChI=1S/C16H32N2O2/c1-8-13(17-11-19)9-12(2)14(20)18-16(6,7)10-15(3,4)5/h11-13H,8-10H2,1-7H3,(H,17,19)(H,18,20)
InChIKeyZWQXJEDXRKEBEV-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.87
Rot. Bonds8

About 4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide

4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide (PubChem CID 118297973) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide.

Molecular Properties

Compound Name4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide
PubChem CID118297973
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide
SMILESCCC(CC(C)C(=O)NC(C)(C)CC(C)(C)C)NC=O
InChIInChI=1S/C16H32N2O2/c1-8-13(17-11-19)9-12(2)14(20)18-16(6,7)10-15(3,4)5/h11-13H,8-10H2,1-7H3,(H,17,19)(H,18,20)
InChIKeyZWQXJEDXRKEBEV-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide?
The IUPAC name of 4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide (CID 118297973) is 4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide.
What is the SMILES notation for 4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide?
The canonical SMILES for 4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide is CCC(CC(C)C(=O)NC(C)(C)CC(C)(C)C)NC=O.
What is the InChIKey of 4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide?
The InChIKey is ZWQXJEDXRKEBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-8-13(17-11-19)9-12(2)14(20)18-16(6,7)10-15(3,4)5/h11-13H,8-10H2,1-7H3,(H,17,19)(H,18,20).
What are the key properties of 4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide?
4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide has a molecular weight of 284.44 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide is sourced from PubChem (CID 118297973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).