ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate

C12H22N2O5 — CID 135056008

IUPACethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)C(C(C)=O)C(C)C
InChIInChI=1S/C12H22N2O5/c1-6-18-11(16)13-14(12(17)19-7-2)10(8(3)4)9(5)15/h8,10H,6-7H2,1-5H3,(H,13,16)
InChIKeyUBKIBNWQLLCFFR-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.72
Rot. Bonds5

About ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate

ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate (PubChem CID 135056008) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate
PubChem CID135056008
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Nameethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)C(C(C)=O)C(C)C
InChIInChI=1S/C12H22N2O5/c1-6-18-11(16)13-14(12(17)19-7-2)10(8(3)4)9(5)15/h8,10H,6-7H2,1-5H3,(H,13,16)
InChIKeyUBKIBNWQLLCFFR-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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 N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate
CID 101184961
ethyl N-(ethoxycarbonylamino)-N-[(E,2R)-5-oxopent-3-en-2-yl]carbamate
CID 101414382
ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 12734045
ethyl N-(ethoxycarbonylamino)-N-oct-4-yn-3-ylcarbamate
CID 71507017
ethyl N-(ethoxycarbonylamino)-N-(2-oxopropanoyl)carbamate
CID 87865362
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl N-(ethoxycarbonylamino)-N-[(E,2R)-1-methylsulfanyl-5-oxopent-3-en-2-yl]carbamate
CID 101414397
ethyl N-[acetyl(methyl)amino]carbamate
CID 175377387
ethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate
CID 71507095
ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate
CID 71507971
ethyl 2,2-bis[ethoxycarbonyl-(ethoxycarbonylamino)amino]-3-oxobutanoate
CID 101466213
ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466

Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate?
The IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate (CID 135056008) is ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate is CCOC(=O)NN(C(=O)OCC)C(C(C)=O)C(C)C.
What is the InChIKey of ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate?
The InChIKey is UBKIBNWQLLCFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-6-18-11(16)13-14(12(17)19-7-2)10(8(3)4)9(5)15/h8,10H,6-7H2,1-5H3,(H,13,16).
What are the key properties of ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate?
ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate has a molecular weight of 274.32 g/mol, XLogP of 1.72, 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-4-oxopentan-3-yl)carbamate is sourced from PubChem (CID 135056008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).