ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate

C14H31NO4 — CID 142463772

IUPACethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate
SMILESCC.CC.CCOCCC(=O)N(C)CCOC(C)=O
InChIInChI=1S/C10H19NO4.2C2H6/c1-4-14-7-5-10(13)11(3)6-8-15-9(2)12;2*1-2/h4-8H2,1-3H3;2*1-2H3
InChIKeyWIYJFYJKWPTRHC-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.49
Rot. Bonds7

About ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate

ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate (PubChem CID 142463772) has the molecular formula C14H31NO4 and a molecular weight of 277.40 g/mol. Its IUPAC name is ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate.

Molecular Properties

Compound Nameethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate
PubChem CID142463772
Molecular FormulaC14H31NO4
Molecular Weight277.40 g/mol
Exact Mass277.23
IUPAC Nameethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate
SMILESCC.CC.CCOCCC(=O)N(C)CCOC(C)=O
InChIInChI=1S/C10H19NO4.2C2H6/c1-4-14-7-5-10(13)11(3)6-8-15-9(2)12;2*1-2/h4-8H2,1-3H3;2*1-2H3
InChIKeyWIYJFYJKWPTRHC-UHFFFAOYSA-N
XLogP2.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[butanoyl(methyl)amino]ethyl acetate
CID 153197952
3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300
N-(5-aminopentyl)-3-ethoxy-N-methylpropanamide
CID 107206617
methyl 3-[3-ethoxypropanoyl(methyl)amino]propanoate
CID 62590846
4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81058942
2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 23544927
methyl 4-[3-ethoxypropanoyl(methyl)amino]butanoate
CID 55210221
6-amino-N-(2-ethoxyethyl)-N-methylhexanamide
CID 81059139
[3-ethoxypropanoyl(methyl)amino] acetate
CID 130369820
N-(2-ethoxyethyl)-N-methyl-3-(methylamino)propanamide
CID 81058236
4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81059200
2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate
CID 150794446

Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate?
The IUPAC name of ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate (CID 142463772) is ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate.
What is the SMILES notation for ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate?
The canonical SMILES for ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate is CC.CC.CCOCCC(=O)N(C)CCOC(C)=O.
What is the InChIKey of ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate?
The InChIKey is WIYJFYJKWPTRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4.2C2H6/c1-4-14-7-5-10(13)11(3)6-8-15-9(2)12;2*1-2/h4-8H2,1-3H3;2*1-2H3.
What are the key properties of ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate?
ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate has a molecular weight of 277.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate is sourced from PubChem (CID 142463772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).