phenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate

C23H22N2O4 — CID 118028968

IUPACphenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate
SMILESCc1ccc(Oc2ccc(NC(=O)Oc3ccccc3)cn2)c2c1OCC2(C)C
InChIInChI=1S/C23H22N2O4/c1-15-9-11-18(20-21(15)27-14-23(20,2)3)29-19-12-10-16(13-24-19)25-22(26)28-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,25,26)
InChIKeyAJCQTUJDLIGUAW-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.46
Rot. Bonds4

About phenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate

phenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate (PubChem CID 118028968) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is phenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate.

Molecular Properties

Compound Namephenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate
PubChem CID118028968
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Namephenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate
SMILESCc1ccc(Oc2ccc(NC(=O)Oc3ccccc3)cn2)c2c1OCC2(C)C
InChIInChI=1S/C23H22N2O4/c1-15-9-11-18(20-21(15)27-14-23(20,2)3)29-19-12-10-16(13-24-19)25-22(26)28-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,25,26)
InChIKeyAJCQTUJDLIGUAW-UHFFFAOYSA-N
XLogP5.46
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]carbamate
CID 123535881
tert-butyl N-[4-[[6-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-3-pyridinyl]amino]-4-oxobutyl]carbamate
CID 123811372
tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid
CID 86698427
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide
CID 173468677
tert-butyl N-[(2R)-1-oxo-1-[[2-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-yl]amino]butan-2-yl]carbamate
CID 86698457
N-tert-butyl-N-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 86698428
phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate
CID 86676127
phenyl N-(3-methyl-4-phenoxyphenyl)carbamate
CID 139442804
phenyl N-(6-fluoro-3-pyridinyl)carbamate
CID 59313675
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120647001
(2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide
CID 67235654
phenyl N-(6-nitro-3-pyridinyl)carbamate
CID 141417930

Frequently Asked Questions

What is the IUPAC name of phenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate?
The IUPAC name of phenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate (CID 118028968) is phenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate.
What is the SMILES notation for phenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate?
The canonical SMILES for phenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate is Cc1ccc(Oc2ccc(NC(=O)Oc3ccccc3)cn2)c2c1OCC2(C)C.
What is the InChIKey of phenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate?
The InChIKey is AJCQTUJDLIGUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-9-11-18(20-21(15)27-14-23(20,2)3)29-19-12-10-16(13-24-19)25-22(26)28-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,25,26).
What are the key properties of phenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate?
phenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate has a molecular weight of 390.44 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate is sourced from PubChem (CID 118028968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).