butyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate

C18H18N2O3 — CID 19709985

IUPACbutyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate
SMILESCCCCOC(=O)Nc1cccc2cc(-c3ccncc3)oc12
InChIInChI=1S/C18H18N2O3/c1-2-3-11-22-18(21)20-15-6-4-5-14-12-16(23-17(14)15)13-7-9-19-10-8-13/h4-10,12H,2-3,11H2,1H3,(H,20,21)
InChIKeyLVWQJAQARLZYBF-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.84
Rot. Bonds5

About butyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate

butyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate (PubChem CID 19709985) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is butyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate
PubChem CID19709985
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namebutyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate
SMILESCCCCOC(=O)Nc1cccc2cc(-c3ccncc3)oc12
InChIInChI=1S/C18H18N2O3/c1-2-3-11-22-18(21)20-15-6-4-5-14-12-16(23-17(14)15)13-7-9-19-10-8-13/h4-10,12H,2-3,11H2,1H3,(H,20,21)
InChIKeyLVWQJAQARLZYBF-UHFFFAOYSA-N
XLogP4.84
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate
CID 11311488
butyl N-(2-sulfamoylphenyl)carbamate
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methyl 3-(butoxycarbonylamino)-2-hydroxybenzoate
CID 108745812
pentyl N-(2,3-dimethylphenyl)carbamate
CID 67224128
butyl N-(2,4-dibromophenyl)carbamate
CID 56698243
3-[2-(butoxycarbonylamino)phenyl]propanoic acid
CID 70037125
butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate
CID 123490166
3-(butoxycarbonylamino)benzoic acid
CID 70253445
1-methyl-3-[(2-phenyl-1-benzofuran-7-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 29095894
2-(butoxycarbonylamino)-6-butylbenzoic acid
CID 19845684
2-(butoxycarbonylamino)-6-propylbenzoic acid
CID 19845692
methyl 2-(hexadecoxycarbonylamino)-6-hydroxybenzoate
CID 139715263

Frequently Asked Questions

What is the IUPAC name of butyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate?
The IUPAC name of butyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate (CID 19709985) is butyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate.
What is the SMILES notation for butyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate?
The canonical SMILES for butyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate is CCCCOC(=O)Nc1cccc2cc(-c3ccncc3)oc12.
What is the InChIKey of butyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate?
The InChIKey is LVWQJAQARLZYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-3-11-22-18(21)20-15-6-4-5-14-12-16(23-17(14)15)13-7-9-19-10-8-13/h4-10,12H,2-3,11H2,1H3,(H,20,21).
What are the key properties of butyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate?
butyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate has a molecular weight of 310.35 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate is sourced from PubChem (CID 19709985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).