N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide

C24H28N2O3 — CID 46550961

IUPACN-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H28N2O3/c1-16(21-14-18-8-6-7-9-20(18)29-21)26(5)22(27)15-25-23(28)17-10-12-19(13-11-17)24(2,3)4/h6-14,16H,15H2,1-5H3,(H,25,28)
InChIKeyQYQZVPUZDBSWSV-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.68
Rot. Bonds5

About N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide

N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide (PubChem CID 46550961) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide
PubChem CID46550961
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H28N2O3/c1-16(21-14-18-8-6-7-9-20(18)29-21)26(5)22(27)15-25-23(28)17-10-12-19(13-11-17)24(2,3)4/h6-14,16H,15H2,1-5H3,(H,25,28)
InChIKeyQYQZVPUZDBSWSV-UHFFFAOYSA-N
XLogP4.68
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46531576
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 111336371
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
N-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 112795505
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
CID 46550865
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea
CID 42951445
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
CID 55204447
N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide
CID 63681322
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 39976580
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide?
The IUPAC name of N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide (CID 46550961) is N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide is CC(c1cc2ccccc2o1)N(C)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide?
The InChIKey is QYQZVPUZDBSWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16(21-14-18-8-6-7-9-20(18)29-21)26(5)22(27)15-25-23(28)17-10-12-19(13-11-17)24(2,3)4/h6-14,16H,15H2,1-5H3,(H,25,28).
What are the key properties of N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide?
N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide has a molecular weight of 392.50 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide is sourced from PubChem (CID 46550961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).