ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate

C12H16N2O4 — CID 897252

IUPACethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)OCC)c1
InChIInChI=1S/C12H16N2O4/c1-3-17-11(15)13-9-6-5-7-10(8-9)14-12(16)18-4-2/h5-8H,3-4H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyFNCONBBYGBPHQA-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.82
Rot. Bonds4

About ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate

ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate (PubChem CID 897252) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
PubChem CID897252
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Nameethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)OCC)c1
InChIInChI=1S/C12H16N2O4/c1-3-17-11(15)13-9-6-5-7-10(8-9)14-12(16)18-4-2/h5-8H,3-4H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyFNCONBBYGBPHQA-UHFFFAOYSA-N
XLogP2.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
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ethyl N-(3-propoxyphenyl)carbamate
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ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate
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ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate
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ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
ethyl N-[(3-methylphenyl)carbamoyl]carbamate
CID 59576587
potassium;carbanide;ethyl N-phenylcarbamate
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ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate?
The IUPAC name of ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate (CID 897252) is ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate is CCOC(=O)Nc1cccc(NC(=O)OCC)c1.
What is the InChIKey of ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate?
The InChIKey is FNCONBBYGBPHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-17-11(15)13-9-6-5-7-10(8-9)14-12(16)18-4-2/h5-8H,3-4H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate?
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate has a molecular weight of 252.27 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate is sourced from PubChem (CID 897252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).