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

C23H26N2O3 — CID 46531576

IUPACN-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1cc2ccccc2o1
InChIInChI=1S/C23H26N2O3/c1-15(20-13-17-7-5-6-8-19(17)28-20)25-21(26)14-24-22(27)16-9-11-18(12-10-16)23(2,3)4/h5-13,15H,14H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyWCWYVYVGXSCXFH-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.34
Rot. Bonds5

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

N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide (PubChem CID 46531576) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
PubChem CID46531576
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1cc2ccccc2o1
InChIInChI=1S/C23H26N2O3/c1-15(20-13-17-7-5-6-8-19(17)28-20)25-21(26)14-24-22(27)16-9-11-18(12-10-16)23(2,3)4/h5-13,15H,14H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyWCWYVYVGXSCXFH-UHFFFAOYSA-N
XLogP4.34
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide
CID 9366881
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 26005805
N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46550961
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9367319
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17398961
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695538
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide?
The IUPAC name of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide (CID 46531576) is N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide is CC(NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide?
The InChIKey is WCWYVYVGXSCXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15(20-13-17-7-5-6-8-19(17)28-20)25-21(26)14-24-22(27)16-9-11-18(12-10-16)23(2,3)4/h5-13,15H,14H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide?
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide has a molecular weight of 378.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide is sourced from PubChem (CID 46531576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).