ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate

C15H20N2O5 — CID 5305676

IUPACethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)C2CCCO2)cc1OC
InChIInChI=1S/C15H20N2O5/c1-3-21-15(19)17-11-7-6-10(9-13(11)20-2)16-14(18)12-5-4-8-22-12/h6-7,9,12H,3-5,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyGJEHLPXQNCQDNR-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.38
Rot. Bonds5

About ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate

ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate (PubChem CID 5305676) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate
PubChem CID5305676
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Nameethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)C2CCCO2)cc1OC
InChIInChI=1S/C15H20N2O5/c1-3-21-15(19)17-11-7-6-10(9-13(11)20-2)16-14(18)12-5-4-8-22-12/h6-7,9,12H,3-5,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyGJEHLPXQNCQDNR-UHFFFAOYSA-N
XLogP2.38
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
CID 62215161
N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide
CID 110776693
(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 32608102
N-(4-methoxy-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 43212401
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide
CID 93441465
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]oxolane-2-carboxamide
CID 43007147
N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide
CID 82034969
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate?
The IUPAC name of ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate (CID 5305676) is ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate?
The canonical SMILES for ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)C2CCCO2)cc1OC.
What is the InChIKey of ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate?
The InChIKey is GJEHLPXQNCQDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-3-21-15(19)17-11-7-6-10(9-13(11)20-2)16-14(18)12-5-4-8-22-12/h6-7,9,12H,3-5,8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate?
ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate has a molecular weight of 308.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate is sourced from PubChem (CID 5305676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).