ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate

C22H22N2O5 — CID 87043175

IUPACethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)c2occc2COc2ccccc2)c1C
InChIInChI=1S/C22H22N2O5/c1-3-27-22(26)24-19-11-7-10-18(15(19)2)23-21(25)20-16(12-13-28-20)14-29-17-8-5-4-6-9-17/h4-13H,3,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMXGIMNUGJSPTFP-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.99
Rot. Bonds7

About ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate

ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate (PubChem CID 87043175) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate
PubChem CID87043175
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Nameethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)c2occc2COc2ccccc2)c1C
InChIInChI=1S/C22H22N2O5/c1-3-27-22(26)24-19-11-7-10-18(15(19)2)23-21(25)20-16(12-13-28-20)14-29-17-8-5-4-6-9-17/h4-13H,3,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMXGIMNUGJSPTFP-UHFFFAOYSA-N
XLogP4.99
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17454230
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate
CID 34202497
N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17493088
N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25400603
N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17457516
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 30751021
ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate
CID 30138413
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55856148
3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 29370752

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate?
The IUPAC name of ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate (CID 87043175) is ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate is CCOC(=O)Nc1cccc(NC(=O)c2occc2COc2ccccc2)c1C.
What is the InChIKey of ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate?
The InChIKey is MXGIMNUGJSPTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-3-27-22(26)24-19-11-7-10-18(15(19)2)23-21(25)20-16(12-13-28-20)14-29-17-8-5-4-6-9-17/h4-13H,3,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate?
ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate has a molecular weight of 394.43 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate is sourced from PubChem (CID 87043175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).