2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane

C13H30N2O3 — CID 155748733

IUPAC2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane
SMILESCC.CC(C)CCOCCOCCNC(=O)CN
InChIInChI=1S/C11H24N2O3.C2H6/c1-10(2)3-5-15-7-8-16-6-4-13-11(14)9-12;1-2/h10H,3-9,12H2,1-2H3,(H,13,14);1-2H3
InChIKeyUMLSKSMXEHQZAT-UHFFFAOYSA-N
MW262.39 g/mol
LogP1.17
Rot. Bonds10

About 2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane

2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane (PubChem CID 155748733) has the molecular formula C13H30N2O3 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane.

Molecular Properties

Compound Name2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane
PubChem CID155748733
Molecular FormulaC13H30N2O3
Molecular Weight262.39 g/mol
Exact Mass262.23
IUPAC Name2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane
SMILESCC.CC(C)CCOCCOCCNC(=O)CN
InChIInChI=1S/C11H24N2O3.C2H6/c1-10(2)3-5-15-7-8-16-6-4-13-11(14)9-12;1-2/h10H,3-9,12H2,1-2H3,(H,13,14);1-2H3
InChIKeyUMLSKSMXEHQZAT-UHFFFAOYSA-N
XLogP1.17
TPSA73.58 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 ≤ 51.17
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

ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide
CID 162756086
(2S)-2-amino-3-methyl-N-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethyl]butanamide
CID 82961460
N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2-methylpropylsulfanyl)acetamide
CID 156547182
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide
CID 176933394
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
CID 79209495
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
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-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463945

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane?
The IUPAC name of 2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane (CID 155748733) is 2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane.
What is the SMILES notation for 2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane?
The canonical SMILES for 2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane is CC.CC(C)CCOCCOCCNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane?
The InChIKey is UMLSKSMXEHQZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3.C2H6/c1-10(2)3-5-15-7-8-16-6-4-13-11(14)9-12;1-2/h10H,3-9,12H2,1-2H3,(H,13,14);1-2H3.
What are the key properties of 2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane?
2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane has a molecular weight of 262.39 g/mol, XLogP of 1.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane is sourced from PubChem (CID 155748733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).