N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide

C16H21NO3 — CID 113199444

IUPACN,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
SMILESCCN(CC)C(=O)Cc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C16H21NO3/c1-3-17(4-2)15(18)10-13-12-6-8-19-14(12)9-11-5-7-20-16(11)13/h9H,3-8,10H2,1-2H3
InChIKeyLKVHCUHXAVOHSC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.97
Rot. Bonds4

About N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide

N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide (PubChem CID 113199444) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
PubChem CID113199444
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
SMILESCCN(CC)C(=O)Cc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C16H21NO3/c1-3-17(4-2)15(18)10-13-12-6-8-19-14(12)9-11-5-7-20-16(11)13/h9H,3-8,10H2,1-2H3
InChIKeyLKVHCUHXAVOHSC-UHFFFAOYSA-N
XLogP1.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dipropyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199457
ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate
CID 113095323
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199424
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 115010687
N-prop-2-enyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199376
N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199470
N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide
CID 113096330
methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
CID 116986293
N-(2-methylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199463
N-butyl-N-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200003
2,2-dimethyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113095519
1-butan-2-yl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217711

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide (CID 113199444) is N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide is CCN(CC)C(=O)Cc1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide?
The InChIKey is LKVHCUHXAVOHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-17(4-2)15(18)10-13-12-6-8-19-14(12)9-11-5-7-20-16(11)13/h9H,3-8,10H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide?
N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide is sourced from PubChem (CID 113199444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).