N-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide

C15H20N2O3 — CID 49158008

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H20N2O3/c1-15(2,3)17-13(18)7-16-14(19)10-4-5-11-8-20-9-12(11)6-10/h4-6H,7-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFLWFTYAFNMTCSS-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.36
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 49158008) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID49158008
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H20N2O3/c1-15(2,3)17-13(18)7-16-14(19)10-4-5-11-8-20-9-12(11)6-10/h4-6H,7-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFLWFTYAFNMTCSS-UHFFFAOYSA-N
XLogP1.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-oxo-2,3-dihydro-1H-isoindole-5-carboxylate
CID 53407796
methyl 1-oxo-2,3-dihydro-1H-isoindole-5-carboxylate
CID 69114316
[4-(Cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 49195660
1-[3-[[2-(methoxymethyl)benzoyl]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 53568508
1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 53618582
1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 53620344
1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 53623316
1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 63587404
methyl 2-(2-aminoethyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxylate hydrochloride
CID 166000859
2-[[(1-Oxo-1,3-dihydroisobenzofuran-5-yl)carbonyl]amino]-2-methyl-1-propanol
CID 11196005
2-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 45878166
Methyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate
CID 47377138

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 49158008) is N-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide is CC(C)(C)NC(=O)CNC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is FLWFTYAFNMTCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,3)17-13(18)7-16-14(19)10-4-5-11-8-20-9-12(11)6-10/h4-6H,7-9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 49158008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).