ethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate

C13H18N2O6 — CID 101228986

IUPACethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)c1ccc(O)c(OC)c1
InChIInChI=1S/C13H18N2O6/c1-4-20-12(17)14-15(13(18)21-5-2)9-6-7-10(16)11(8-9)19-3/h6-8,16H,4-5H2,1-3H3,(H,14,17)
InChIKeyDTBCDGSMWBHLML-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.02
Rot. Bonds4

About ethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate

ethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate (PubChem CID 101228986) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate
PubChem CID101228986
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Nameethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)c1ccc(O)c(OC)c1
InChIInChI=1S/C13H18N2O6/c1-4-20-12(17)14-15(13(18)21-5-2)9-6-7-10(16)11(8-9)19-3/h6-8,16H,4-5H2,1-3H3,(H,14,17)
InChIKeyDTBCDGSMWBHLML-UHFFFAOYSA-N
XLogP2.02
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate
CID 10545597
ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate
CID 15532326
ethyl 2-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butanoate
CID 21224421
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
ethanol;ethyl 4-hydroxy-3-methoxybenzoate;4-hydroxy-3-methoxybenzoic acid
CID 162180996
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate
CID 110465943
ethane;ethyl 4-hydroxy-3-methoxybenzoate;bis(4-hydroxy-3-methoxybenzaldehyde);methane;methyl 4-hydroxy-3-methoxybenzoate;propane
CID 159042504
4-ethoxy-2-methoxyphenol
CID 54107015
ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate
CID 70034657
propyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
CID 54017082
ethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate
CID 102225133

Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate?
The IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate (CID 101228986) is ethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate is CCOC(=O)NN(C(=O)OCC)c1ccc(O)c(OC)c1.
What is the InChIKey of ethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate?
The InChIKey is DTBCDGSMWBHLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-4-20-12(17)14-15(13(18)21-5-2)9-6-7-10(16)11(8-9)19-3/h6-8,16H,4-5H2,1-3H3,(H,14,17).
What are the key properties of ethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate?
ethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate has a molecular weight of 298.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate is sourced from PubChem (CID 101228986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).