4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide

C13H28N2O2 — CID 169032299

IUPAC4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide
SMILESCC(C)CCC(=O)NCCOCCNC(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)5-6-13(16)15-8-10-17-9-7-14-12(3)4/h11-12,14H,5-10H2,1-4H3,(H,15,16)
InChIKeyARXLQZLLLFXKSA-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.55
Rot. Bonds10

About 4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide

4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide (PubChem CID 169032299) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide
PubChem CID169032299
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide
SMILESCC(C)CCC(=O)NCCOCCNC(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)5-6-13(16)15-8-10-17-9-7-14-12(3)4/h11-12,14H,5-10H2,1-4H3,(H,15,16)
InChIKeyARXLQZLLLFXKSA-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide?
The IUPAC name of 4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide (CID 169032299) is 4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide?
The canonical SMILES for 4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide is CC(C)CCC(=O)NCCOCCNC(C)C.
What is the InChIKey of 4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide?
The InChIKey is ARXLQZLLLFXKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)5-6-13(16)15-8-10-17-9-7-14-12(3)4/h11-12,14H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide?
4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.55, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pentanamide is sourced from PubChem (CID 169032299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).