2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate

C10H19NO4 — CID 165163871

IUPAC2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate
SMILESCC(=O)OCCN(C)C(=O)OCC(C)C
InChIInChI=1S/C10H19NO4/c1-8(2)7-15-10(13)11(4)5-6-14-9(3)12/h8H,5-7H2,1-4H3
InChIKeyIIANXUSIBLCWQQ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.27
Rot. Bonds5

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

2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate (PubChem CID 165163871) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate
PubChem CID165163871
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate
SMILESCC(=O)OCCN(C)C(=O)OCC(C)C
InChIInChI=1S/C10H19NO4/c1-8(2)7-15-10(13)11(4)5-6-14-9(3)12/h8H,5-7H2,1-4H3
InChIKeyIIANXUSIBLCWQQ-UHFFFAOYSA-N
XLogP1.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate
CID 167089831
2-methylpropyl N-(2-chloroethyl)-N-methylcarbamate
CID 106441648
2-methylpropyl N-methyl-N-(2-methylprop-2-enyl)carbamate
CID 162502181
2-methylpropyl acetate;hydrate
CID 86585368
2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate
CID 87723384
2-(2-methylpropoxy)ethyl acetate
CID 520944
dichloromethane;2-methylpropyl acetate
CID 174845885
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226
2-[butanoyl(methyl)amino]ethyl acetate
CID 153197952
2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate
CID 61233456
5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate
CID 88928519
ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate
CID 142463772

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate?
The IUPAC name of 2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate (CID 165163871) is 2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate.
What is the SMILES notation for 2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate?
The canonical SMILES for 2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate is CC(=O)OCCN(C)C(=O)OCC(C)C.
What is the InChIKey of 2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate?
The InChIKey is IIANXUSIBLCWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(2)7-15-10(13)11(4)5-6-14-9(3)12/h8H,5-7H2,1-4H3.
What are the key properties of 2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate?
2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate has a molecular weight of 217.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate is sourced from PubChem (CID 165163871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).