2-[butanoyl(methyl)amino]ethyl acetate

C9H17NO3 — CID 153197952

IUPAC2-[butanoyl(methyl)amino]ethyl acetate
SMILESCCCC(=O)N(C)CCOC(C)=O
InChIInChI=1S/C9H17NO3/c1-4-5-9(12)10(3)6-7-13-8(2)11/h4-7H2,1-3H3
InChIKeyWJINOSWHOZDVER-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.81
Rot. Bonds5

About 2-[butanoyl(methyl)amino]ethyl acetate

2-[butanoyl(methyl)amino]ethyl acetate (PubChem CID 153197952) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[butanoyl(methyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[butanoyl(methyl)amino]ethyl acetate
PubChem CID153197952
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[butanoyl(methyl)amino]ethyl acetate
SMILESCCCC(=O)N(C)CCOC(C)=O
InChIInChI=1S/C9H17NO3/c1-4-5-9(12)10(3)6-7-13-8(2)11/h4-7H2,1-3H3
InChIKeyWJINOSWHOZDVER-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate
CID 142463772
2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate
CID 101151027
ethane;2-[methyl(propyl)amino]ethyl acetate
CID 143043646
2-[dodecanoyl(methyl)amino]ethyl dodecanoate
CID 87794388
N-(2-bromoethyl)-N-methylbutanamide
CID 80658424
N-(aminomethyl)-N-methylbutanamide
CID 155070465
3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300
N-(3-fluoropropyl)-N-methylbutanamide
CID 169103064
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81058942
2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate
CID 165163871
N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane
CID 176686856

Frequently Asked Questions

What is the IUPAC name of 2-[butanoyl(methyl)amino]ethyl acetate?
The IUPAC name of 2-[butanoyl(methyl)amino]ethyl acetate (CID 153197952) is 2-[butanoyl(methyl)amino]ethyl acetate.
What is the SMILES notation for 2-[butanoyl(methyl)amino]ethyl acetate?
The canonical SMILES for 2-[butanoyl(methyl)amino]ethyl acetate is CCCC(=O)N(C)CCOC(C)=O.
What is the InChIKey of 2-[butanoyl(methyl)amino]ethyl acetate?
The InChIKey is WJINOSWHOZDVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-5-9(12)10(3)6-7-13-8(2)11/h4-7H2,1-3H3.
What are the key properties of 2-[butanoyl(methyl)amino]ethyl acetate?
2-[butanoyl(methyl)amino]ethyl acetate has a molecular weight of 187.24 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butanoyl(methyl)amino]ethyl acetate is sourced from PubChem (CID 153197952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).