ethane;ethyl 2-(13-aminotridecoxy)acetate

C19H41NO3 — CID 144962312

IUPACethane;ethyl 2-(13-aminotridecoxy)acetate
SMILESCC.CCOC(=O)COCCCCCCCCCCCCCN
InChIInChI=1S/C17H35NO3.C2H6/c1-2-21-17(19)16-20-15-13-11-9-7-5-3-4-6-8-10-12-14-18;1-2/h2-16,18H2,1H3;1-2H3
InChIKeyANNMJVUSXHNGDJ-UHFFFAOYSA-N
MW331.54 g/mol
LogP4.84
Rot. Bonds16

About ethane;ethyl 2-(13-aminotridecoxy)acetate

ethane;ethyl 2-(13-aminotridecoxy)acetate (PubChem CID 144962312) has the molecular formula C19H41NO3 and a molecular weight of 331.54 g/mol. Its IUPAC name is ethane;ethyl 2-(13-aminotridecoxy)acetate.

Molecular Properties

Compound Nameethane;ethyl 2-(13-aminotridecoxy)acetate
PubChem CID144962312
Molecular FormulaC19H41NO3
Molecular Weight331.54 g/mol
Exact Mass331.31
IUPAC Nameethane;ethyl 2-(13-aminotridecoxy)acetate
SMILESCC.CCOC(=O)COCCCCCCCCCCCCCN
InChIInChI=1S/C17H35NO3.C2H6/c1-2-21-17(19)16-20-15-13-11-9-7-5-3-4-6-8-10-12-14-18;1-2/h2-16,18H2,1H3;1-2H3
InChIKeyANNMJVUSXHNGDJ-UHFFFAOYSA-N
XLogP4.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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heptyl 2-(2-aminoethoxy)acetate
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ethyl 16-aminohexadecanoate;hydrobromide
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ethyl 2-(2-sulfanylethoxy)acetate
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ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590
ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 22471885
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
2-[4-(4-aminobutoxy)butoxy]acetamide
CID 155031633
ethyl carbamate;hexane-1,6-diamine
CID 161407066

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-(13-aminotridecoxy)acetate?
The IUPAC name of ethane;ethyl 2-(13-aminotridecoxy)acetate (CID 144962312) is ethane;ethyl 2-(13-aminotridecoxy)acetate.
What is the SMILES notation for ethane;ethyl 2-(13-aminotridecoxy)acetate?
The canonical SMILES for ethane;ethyl 2-(13-aminotridecoxy)acetate is CC.CCOC(=O)COCCCCCCCCCCCCCN.
What is the InChIKey of ethane;ethyl 2-(13-aminotridecoxy)acetate?
The InChIKey is ANNMJVUSXHNGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3.C2H6/c1-2-21-17(19)16-20-15-13-11-9-7-5-3-4-6-8-10-12-14-18;1-2/h2-16,18H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 2-(13-aminotridecoxy)acetate?
ethane;ethyl 2-(13-aminotridecoxy)acetate has a molecular weight of 331.54 g/mol, XLogP of 4.84, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-(13-aminotridecoxy)acetate is sourced from PubChem (CID 144962312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).