ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate

C18H26N2O5 — CID 71507971

IUPACethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)C(CCCC(C)=O)c1ccccc1
InChIInChI=1S/C18H26N2O5/c1-4-24-17(22)19-20(18(23)25-5-2)16(13-9-10-14(3)21)15-11-7-6-8-12-15/h6-8,11-12,16H,4-5,9-10,13H2,1-3H3,(H,19,22)
InChIKeyKWHDRRAXPMRXQE-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.61
Rot. Bonds8

About ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate

ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate (PubChem CID 71507971) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate
PubChem CID71507971
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Nameethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)C(CCCC(C)=O)c1ccccc1
InChIInChI=1S/C18H26N2O5/c1-4-24-17(22)19-20(18(23)25-5-2)16(13-9-10-14(3)21)15-11-7-6-8-12-15/h6-8,11-12,16H,4-5,9-10,13H2,1-3H3,(H,19,22)
InChIKeyKWHDRRAXPMRXQE-UHFFFAOYSA-N
XLogP3.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.61
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

5-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-5-phenylpentanoic acid
CID 71507973
ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate
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ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate
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ethyl 5-oxo-2-phenylhexanoate
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(1-ethoxy-1,13-dioxotetradecan-2-yl)-triphenylphosphanium
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(6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one
CID 10694563
ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate
CID 71506938
benzyl N-[methyl(6-oxoheptanoyl)amino]carbamate
CID 166334227
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl N-[[(1S)-1-phenylethyl]amino]carbamate
CID 76967986
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599

Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate?
The IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate (CID 71507971) is ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate is CCOC(=O)NN(C(=O)OCC)C(CCCC(C)=O)c1ccccc1.
What is the InChIKey of ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate?
The InChIKey is KWHDRRAXPMRXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-4-24-17(22)19-20(18(23)25-5-2)16(13-9-10-14(3)21)15-11-7-6-8-12-15/h6-8,11-12,16H,4-5,9-10,13H2,1-3H3,(H,19,22).
What are the key properties of ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate?
ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate has a molecular weight of 350.42 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate is sourced from PubChem (CID 71507971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).