ethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate

C22H17NO5 — CID 11417496

IUPACethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate
SMILESCCOC(=O)Nc1c(C(=O)c2ccc(O)cc2)oc2ccc3ccccc3c12
InChIInChI=1S/C22H17NO5/c1-2-27-22(26)23-19-18-16-6-4-3-5-13(16)9-12-17(18)28-21(19)20(25)14-7-10-15(24)11-8-14/h3-12,24H,2H2,1H3,(H,23,26)
InChIKeyFTCKCNXMXRXTJY-UHFFFAOYSA-N
MW375.38 g/mol
LogP5.09
Rot. Bonds4

About ethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate

ethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate (PubChem CID 11417496) has the molecular formula C22H17NO5 and a molecular weight of 375.38 g/mol. Its IUPAC name is ethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate
PubChem CID11417496
Molecular FormulaC22H17NO5
Molecular Weight375.38 g/mol
Exact Mass375.11
IUPAC Nameethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate
SMILESCCOC(=O)Nc1c(C(=O)c2ccc(O)cc2)oc2ccc3ccccc3c12
InChIInChI=1S/C22H17NO5/c1-2-27-22(26)23-19-18-16-6-4-3-5-13(16)9-12-17(18)28-21(19)20(25)14-7-10-15(24)11-8-14/h3-12,24H,2H2,1H3,(H,23,26)
InChIKeyFTCKCNXMXRXTJY-UHFFFAOYSA-N
XLogP5.09
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.38
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetamidobenzo[e][1]benzofuran-2-carboxamide
CID 23148944
ethyl N-(2-methylnaphthalen-1-yl)carbamate
CID 171853862
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
ethyl N-[6-bromo-2-(4-nitrosobenzoyl)-1-benzofuran-3-yl]carbamate
CID 90738021
[3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-(4-methylphenyl)methanone
CID 110827194
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880617
[3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone
CID 110827191
2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone
CID 110825903
ethyl N-(6-hydroxynaphthalen-2-yl)carbamate
CID 68802648
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355
3-amino-1-benzofuran-2-carboxamide;ethyl N-(2-carbamoyl-1-benzofuran-3-yl)carbamate;ethyl carbonochloridate
CID 162166212

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate?
The IUPAC name of ethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate (CID 11417496) is ethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate?
The canonical SMILES for ethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate is CCOC(=O)Nc1c(C(=O)c2ccc(O)cc2)oc2ccc3ccccc3c12.
What is the InChIKey of ethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate?
The InChIKey is FTCKCNXMXRXTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO5/c1-2-27-22(26)23-19-18-16-6-4-3-5-13(16)9-12-17(18)28-21(19)20(25)14-7-10-15(24)11-8-14/h3-12,24H,2H2,1H3,(H,23,26).
What are the key properties of ethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate?
ethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate has a molecular weight of 375.38 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate is sourced from PubChem (CID 11417496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).