[2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate

C30H23NO6 — CID 18836015

IUPAC[2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate
SMILESCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)N(c3ccccc3)c3ccccc3)c(OC)c1)C2=O
InChIInChI=1S/C30H23NO6/c1-34-23-14-15-24-26(19-23)36-28(29(24)32)18-20-13-16-25(27(17-20)35-2)37-30(33)31(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-19H,1-2H3/b28-18-
InChIKeyJTTDQPQOYMVWMT-VEILYXNESA-N
MW493.52 g/mol
LogP6.66
Rot. Bonds6

About [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate

[2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate (PubChem CID 18836015) has the molecular formula C30H23NO6 and a molecular weight of 493.52 g/mol. Its IUPAC name is [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate.

Molecular Properties

Compound Name[2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate
PubChem CID18836015
Molecular FormulaC30H23NO6
Molecular Weight493.52 g/mol
Exact Mass493.15
IUPAC Name[2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate
SMILESCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)N(c3ccccc3)c3ccccc3)c(OC)c1)C2=O
InChIInChI=1S/C30H23NO6/c1-34-23-14-15-24-26(19-23)36-28(29(24)32)18-20-13-16-25(27(17-20)35-2)37-30(33)31(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-19H,1-2H3/b28-18-
InChIKeyJTTDQPQOYMVWMT-VEILYXNESA-N
XLogP6.66
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.52
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate with MolForge

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Related Compounds

[2-methoxy-4-[(E)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-dimethylcarbamate
CID 98384918
methyl 4-[[6-(diphenylcarbamoyloxy)-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
CID 5264826
[(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate
CID 6535709
[2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 18836038
[4-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2-methoxyphenyl] N,N-dimethylcarbamate
CID 7243346
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380
[2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methoxybenzoate
CID 4311561
2-[[2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetic acid
CID 4837017
[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] benzenesulfonate
CID 2027424
[2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl] N,N-diphenylcarbamate
CID 5009227
[3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] N,N-diphenylcarbamate
CID 3512764
[4-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 18835896

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate?
The IUPAC name of [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate (CID 18836015) is [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate.
What is the SMILES notation for [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate?
The canonical SMILES for [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate is COc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)N(c3ccccc3)c3ccccc3)c(OC)c1)C2=O.
What is the InChIKey of [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate?
The InChIKey is JTTDQPQOYMVWMT-VEILYXNESA-N. The full InChI is InChI=1S/C30H23NO6/c1-34-23-14-15-24-26(19-23)36-28(29(24)32)18-20-13-16-25(27(17-20)35-2)37-30(33)31(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-19H,1-2H3/b28-18-.
What are the key properties of [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate?
[2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate has a molecular weight of 493.52 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate is sourced from PubChem (CID 18836015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).