ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate

C12H25NO3 — CID 122544664

IUPACethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate
SMILESCCOC(=O)NC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-7-15-10(14)13-12(5,6)8-9-16-11(2,3)4/h7-9H2,1-6H3,(H,13,14)
InChIKeyCOKCEOWSCGPGPR-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.72
Rot. Bonds5

About ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate

ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate (PubChem CID 122544664) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate
PubChem CID122544664
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nameethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate
SMILESCCOC(=O)NC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-7-15-10(14)13-12(5,6)8-9-16-11(2,3)4/h7-9H2,1-6H3,(H,13,14)
InChIKeyCOKCEOWSCGPGPR-UHFFFAOYSA-N
XLogP2.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
CID 123807188
ethyl N-(1-amino-2-methylpropan-2-yl)carbamate
CID 63194135
N-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]acetamide
CID 88555245
2-ethoxycarbonyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanoic acid
CID 113360424
methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate
CID 166658175
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate
CID 112691084
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 170276011
[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid
CID 175166936
N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
CID 144742441
ethyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
CID 3573557
ethyl N-(4-chloro-2-methyl-3-oxobutan-2-yl)carbamate
CID 104701003

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate?
The IUPAC name of ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate (CID 122544664) is ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate?
The canonical SMILES for ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate is CCOC(=O)NC(C)(C)CCOC(C)(C)C.
What is the InChIKey of ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate?
The InChIKey is COKCEOWSCGPGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-7-15-10(14)13-12(5,6)8-9-16-11(2,3)4/h7-9H2,1-6H3,(H,13,14).
What are the key properties of ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate?
ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate has a molecular weight of 231.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate is sourced from PubChem (CID 122544664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).