ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate

C12H22N2O5 — CID 11254332

IUPACethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)C(C)(C)C(=O)CC
InChIInChI=1S/C12H22N2O5/c1-6-9(15)12(4,5)14(11(17)19-8-3)13-10(16)18-7-2/h6-8H2,1-5H3,(H,13,16)
InChIKeyREHJTFPORZPHHL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.86
Rot. Bonds5

About ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate

ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate (PubChem CID 11254332) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate
PubChem CID11254332
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Nameethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)C(C)(C)C(=O)CC
InChIInChI=1S/C12H22N2O5/c1-6-9(15)12(4,5)14(11(17)19-8-3)13-10(16)18-7-2/h6-8H2,1-5H3,(H,13,16)
InChIKeyREHJTFPORZPHHL-UHFFFAOYSA-N
XLogP1.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,2-bis[ethoxycarbonyl-(ethoxycarbonylamino)amino]-3-oxobutanoate
CID 101466213
ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate
CID 71506938
(2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid
CID 134841276
ethyl N-(ethoxycarbonylamino)-N-(1-oxo-2-phenylpropan-2-yl)carbamate
CID 102159157
tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate
CID 151133145
ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 139246635
ethyl N-(ethoxycarbonylamino)-N-(2-oxopropanoyl)carbamate
CID 87865362
ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate
CID 101184961
ethyl N-[acetyl(methyl)amino]carbamate
CID 175377387
methyl (E)-4-[ethoxycarbonyl-(ethoxycarbonylamino)amino]but-2-enoate
CID 14352870
ethyl N-(ethoxycarbonylamino)-N-prop-2-enylcarbamate;hydrate
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ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate
CID 135056008

Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate?
The IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate (CID 11254332) is ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate is CCOC(=O)NN(C(=O)OCC)C(C)(C)C(=O)CC.
What is the InChIKey of ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate?
The InChIKey is REHJTFPORZPHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-6-9(15)12(4,5)14(11(17)19-8-3)13-10(16)18-7-2/h6-8H2,1-5H3,(H,13,16).
What are the key properties of ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate?
ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate has a molecular weight of 274.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate is sourced from PubChem (CID 11254332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).