N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide

C14H28N2O2 — CID 71922574

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)N1CCC1(C)C
InChIInChI=1S/C14H28N2O2/c1-11(2)9-12(5-8-17)10-15-13(18)16-7-6-14(16,3)4/h11-12,17H,5-10H2,1-4H3,(H,15,18)
InChIKeyGAZBYJODWYPUPX-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.22
Rot. Bonds6

About N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide (PubChem CID 71922574) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide
PubChem CID71922574
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)N1CCC1(C)C
InChIInChI=1S/C14H28N2O2/c1-11(2)9-12(5-8-17)10-15-13(18)16-7-6-14(16,3)4/h11-12,17H,5-10H2,1-4H3,(H,15,18)
InChIKeyGAZBYJODWYPUPX-UHFFFAOYSA-N
XLogP2.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide (CID 71922574) is N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide is CC(C)CC(CCO)CNC(=O)N1CCC1(C)C.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide?
The InChIKey is GAZBYJODWYPUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)9-12(5-8-17)10-15-13(18)16-7-6-14(16,3)4/h11-12,17H,5-10H2,1-4H3,(H,15,18).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide is sourced from PubChem (CID 71922574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).