ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide

C13H30N2O3 — CID 153390665

IUPACethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
SMILESCC.CC(=O)NCCOCCOCCNC(C)C
InChIInChI=1S/C11H24N2O3.C2H6/c1-10(2)12-4-6-15-8-9-16-7-5-13-11(3)14;1-2/h10,12H,4-9H2,1-3H3,(H,13,14);1-2H3
InChIKeyGOFZHVUMRLBAEB-UHFFFAOYSA-N
MW262.39 g/mol
LogP1.18
Rot. Bonds10

About ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide

ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide (PubChem CID 153390665) has the molecular formula C13H30N2O3 and a molecular weight of 262.39 g/mol. Its IUPAC name is ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Nameethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
PubChem CID153390665
Molecular FormulaC13H30N2O3
Molecular Weight262.39 g/mol
Exact Mass262.23
IUPAC Nameethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
SMILESCC.CC(=O)NCCOCCOCCNC(C)C
InChIInChI=1S/C11H24N2O3.C2H6/c1-10(2)12-4-6-15-8-9-16-7-5-13-11(3)14;1-2/h10,12H,4-9H2,1-3H3,(H,13,14);1-2H3
InChIKeyGOFZHVUMRLBAEB-UHFFFAOYSA-N
XLogP1.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890
2-[2-(propan-2-ylamino)ethoxy]ethyl acetate
CID 172574123
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
CID 153390509
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide (CID 153390665) is ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide is CC.CC(=O)NCCOCCOCCNC(C)C.
What is the InChIKey of ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is GOFZHVUMRLBAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3.C2H6/c1-10(2)12-4-6-15-8-9-16-7-5-13-11(3)14;1-2/h10,12H,4-9H2,1-3H3,(H,13,14);1-2H3.
What are the key properties of ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide?
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 262.39 g/mol, XLogP of 1.18, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 153390665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).