[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate

C22H22N2O6 — CID 8841979

IUPAC[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)N[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C22H22N2O6/c1-14(19-11-15-7-3-5-9-17(15)30-19)24-20(25)13-29-21(26)12-23-22(27)16-8-4-6-10-18(16)28-2/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,25)/t14-/m1/s1
InChIKeyYIJPAYQEYFDMAW-CQSZACIVSA-N
MW410.43 g/mol
LogP2.59
Rot. Bonds8

About [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate

[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate (PubChem CID 8841979) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
PubChem CID8841979
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Name[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)N[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C22H22N2O6/c1-14(19-11-15-7-3-5-9-17(15)30-19)24-20(25)13-29-21(26)12-23-22(27)16-8-4-6-10-18(16)28-2/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,25)/t14-/m1/s1
InChIKeyYIJPAYQEYFDMAW-CQSZACIVSA-N
XLogP2.59
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 55365939
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 26005805
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 8666138
2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide
CID 41134830
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8842013
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 9492543
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 55366683
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 9342634
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46531576
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] cyclopentanecarboxylate
CID 9202178
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 42926696

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate (CID 8841979) is [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate is COc1ccccc1C(=O)NCC(=O)OCC(=O)N[C@H](C)c1cc2ccccc2o1.
What is the InChIKey of [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The InChIKey is YIJPAYQEYFDMAW-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-14(19-11-15-7-3-5-9-17(15)30-19)24-20(25)13-29-21(26)12-23-22(27)16-8-4-6-10-18(16)28-2/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,25)/t14-/m1/s1.
What are the key properties of [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate has a molecular weight of 410.43 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 8841979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).