2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate

C24H30N2O5 — CID 6734497

IUPAC2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate
SMILESCc1cc(C)c(CCOC(=O)NNC(=O)COc2cccc3c2OC(C)(C)C3)c(C)c1
InChIInChI=1S/C24H30N2O5/c1-15-11-16(2)19(17(3)12-15)9-10-29-23(28)26-25-21(27)14-30-20-8-6-7-18-13-24(4,5)31-22(18)20/h6-8,11-12H,9-10,13-14H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyHQHKFWOVMDIRIB-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.70
Rot. Bonds6

About 2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate

2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate (PubChem CID 6734497) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate
PubChem CID6734497
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate
SMILESCc1cc(C)c(CCOC(=O)NNC(=O)COc2cccc3c2OC(C)(C)C3)c(C)c1
InChIInChI=1S/C24H30N2O5/c1-15-11-16(2)19(17(3)12-15)9-10-29-23(28)26-25-21(27)14-30-20-8-6-7-18-13-24(4,5)31-22(18)20/h6-8,11-12H,9-10,13-14H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyHQHKFWOVMDIRIB-UHFFFAOYSA-N
XLogP3.70
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)acetamide
CID 7899894
N-[(2,6-difluorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8551831
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
CID 18074370
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855779
1-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-(2-fluorophenyl)thiourea
CID 9468639
1-tert-butyl-3-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]thiourea
CID 4670947
N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90578518
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 56765570
N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8864015
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]ethyl-dimethylazanium
CID 7858818
N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]-2-(3-methylphenoxy)acetamide
CID 90578519
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide
CID 78773150

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate?
The IUPAC name of 2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate (CID 6734497) is 2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate is Cc1cc(C)c(CCOC(=O)NNC(=O)COc2cccc3c2OC(C)(C)C3)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate?
The InChIKey is HQHKFWOVMDIRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-15-11-16(2)19(17(3)12-15)9-10-29-23(28)26-25-21(27)14-30-20-8-6-7-18-13-24(4,5)31-22(18)20/h6-8,11-12H,9-10,13-14H2,1-5H3,(H,25,27)(H,26,28).
What are the key properties of 2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate?
2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate has a molecular weight of 426.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate is sourced from PubChem (CID 6734497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).