dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate

C21H17NO5 — CID 5147603

IUPACdibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)Oc2ccc3oc4ccccc4c3c2)cc1OC
InChIInChI=1S/C21H17NO5/c1-24-19-9-7-13(11-20(19)25-2)22-21(23)26-14-8-10-18-16(12-14)15-5-3-4-6-17(15)27-18/h3-12H,1-2H3,(H,22,23)
InChIKeyNFCGGFRRLAPYBU-UHFFFAOYSA-N
MW363.37 g/mol
LogP5.21
Rot. Bonds4

About dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate

dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate (PubChem CID 5147603) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Namedibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate
PubChem CID5147603
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Namedibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)Oc2ccc3oc4ccccc4c3c2)cc1OC
InChIInChI=1S/C21H17NO5/c1-24-19-9-7-13(11-20(19)25-2)22-21(23)26-14-8-10-18-16(12-14)15-5-3-4-6-17(15)27-18/h3-12H,1-2H3,(H,22,23)
InChIKeyNFCGGFRRLAPYBU-UHFFFAOYSA-N
XLogP5.21
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.37
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dibenzofuran-2-yl 3,4-dimethoxybenzoate
CID 4003499
dibenzofuran-2-yl 3,5-dimethoxybenzoate
CID 4314506
2-dibenzofuran-2-yloxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9245894
dibenzofuran-2-yl N-hexylcarbamate
CID 15229767
phenyl N-(3-hydroxy-4-methoxyphenyl)carbamate
CID 60637496
dibenzofuran-2-yl 3-methylbut-2-enoate
CID 30707785
N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 17438326
phenyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 61215909
dibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate
CID 56579787
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653280
N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16818095
N-dibenzofuran-2-yl-2,2,2-trifluoroacetamide
CID 5196274

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate?
The IUPAC name of dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate (CID 5147603) is dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate.
What is the SMILES notation for dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate?
The canonical SMILES for dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate is COc1ccc(NC(=O)Oc2ccc3oc4ccccc4c3c2)cc1OC.
What is the InChIKey of dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate?
The InChIKey is NFCGGFRRLAPYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c1-24-19-9-7-13(11-20(19)25-2)22-21(23)26-14-8-10-18-16(12-14)15-5-3-4-6-17(15)27-18/h3-12H,1-2H3,(H,22,23).
What are the key properties of dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate?
dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate has a molecular weight of 363.37 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate is sourced from PubChem (CID 5147603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).