2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide

C24H29N3O3 — CID 112798745

IUPAC2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C24H29N3O3/c1-5-18-10-6-8-12-20(18)26-23(28)15-27(4)24(29)17(3)25-16(2)22-14-19-11-7-9-13-21(19)30-22/h6-14,16-17,25H,5,15H2,1-4H3,(H,26,28)
InChIKeyRKFUVMCEPLCONL-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.13
Rot. Bonds8

About 2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide

2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 112798745) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID112798745
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C24H29N3O3/c1-5-18-10-6-8-12-20(18)26-23(28)15-27(4)24(29)17(3)25-16(2)22-14-19-11-7-9-13-21(19)30-22/h6-14,16-17,25H,5,15H2,1-4H3,(H,26,28)
InChIKeyRKFUVMCEPLCONL-UHFFFAOYSA-N
XLogP4.13
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
CID 43102235
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-propylanilino)propanamide
CID 112799196
2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 112799144
2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide
CID 115574060
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 112799212
2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 71856374
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methoxy-N-methylpropanamide
CID 120983235
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783983
N-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide
CID 56519450
2-[[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8786147
(2S)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 95345101
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide
CID 24573425

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide (CID 112798745) is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide is CCc1ccccc1NC(=O)CN(C)C(=O)C(C)NC(C)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is RKFUVMCEPLCONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-5-18-10-6-8-12-20(18)26-23(28)15-27(4)24(29)17(3)25-16(2)22-14-19-11-7-9-13-21(19)30-22/h6-14,16-17,25H,5,15H2,1-4H3,(H,26,28).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 407.51 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 112798745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).