2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide

C24H29N3O3 — CID 8810194

IUPAC2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)CC(=O)N[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C24H29N3O3/c1-4-13-27(16-24(29)26-20-11-7-5-9-17(20)2)15-23(28)25-18(3)22-14-19-10-6-8-12-21(19)30-22/h5-12,14,18H,4,13,15-16H2,1-3H3,(H,25,28)(H,26,29)/t18-/m1/s1
InChIKeyZYRUOCNORKFEBC-GOSISDBHSA-N
MW407.51 g/mol
LogP4.27
Rot. Bonds9

About 2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide

2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 8810194) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID8810194
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)CC(=O)N[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C24H29N3O3/c1-4-13-27(16-24(29)26-20-11-7-5-9-17(20)2)15-23(28)25-18(3)22-14-19-10-6-8-12-21(19)30-22/h5-12,14,18H,4,13,15-16H2,1-3H3,(H,25,28)(H,26,29)/t18-/m1/s1
InChIKeyZYRUOCNORKFEBC-GOSISDBHSA-N
XLogP4.27
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide with MolForge

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8794351
2-[[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8786147
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038968
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 9367440
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
CID 8768753
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692963
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9366932
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-prop-2-ynylacetamide
CID 8810170
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 8810094

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide (CID 8810194) is 2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)CC(=O)N[C@H](C)c1cc2ccccc2o1.
What is the InChIKey of 2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is ZYRUOCNORKFEBC-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-13-27(16-24(29)26-20-11-7-5-9-17(20)2)15-23(28)25-18(3)22-14-19-10-6-8-12-21(19)30-22/h5-12,14,18H,4,13,15-16H2,1-3H3,(H,25,28)(H,26,29)/t18-/m1/s1.
What are the key properties of 2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 407.51 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 8810194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).