2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide

C18H38N2O — CID 123928663

IUPAC2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
SMILESCC(C)(C)CC(C(=O)NC(C)(C)CC(C)(C)C)C(C)(C)N
InChIInChI=1S/C18H38N2O/c1-15(2,3)11-13(18(9,10)19)14(21)20-17(7,8)12-16(4,5)6/h13H,11-12,19H2,1-10H3,(H,20,21)
InChIKeyJDGFUFRUYASPEQ-UHFFFAOYSA-N
MW298.52 g/mol
LogP4.11
Rot. Bonds5

About 2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide

2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide (PubChem CID 123928663) has the molecular formula C18H38N2O and a molecular weight of 298.52 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
PubChem CID123928663
Molecular FormulaC18H38N2O
Molecular Weight298.52 g/mol
Exact Mass298.30
IUPAC Name2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
SMILESCC(C)(C)CC(C(=O)NC(C)(C)CC(C)(C)C)C(C)(C)N
InChIInChI=1S/C18H38N2O/c1-15(2,3)11-13(18(9,10)19)14(21)20-17(7,8)12-16(4,5)6/h13H,11-12,19H2,1-10H3,(H,20,21)
InChIKeyJDGFUFRUYASPEQ-UHFFFAOYSA-N
XLogP4.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The IUPAC name of 2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide (CID 123928663) is 2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The canonical SMILES for 2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide is CC(C)(C)CC(C(=O)NC(C)(C)CC(C)(C)C)C(C)(C)N.
What is the InChIKey of 2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The InChIKey is JDGFUFRUYASPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-15(2,3)11-13(18(9,10)19)14(21)20-17(7,8)12-16(4,5)6/h13H,11-12,19H2,1-10H3,(H,20,21).
What are the key properties of 2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide has a molecular weight of 298.52 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide is sourced from PubChem (CID 123928663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).