2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

C24H33N3O5 — CID 16620475

IUPAC2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)NCC(=O)Nc2cc(C)ccc2OC)cc1OC
InChIInChI=1S/C24H33N3O5/c1-6-27(15-18-9-11-21(32-7-2)22(13-18)31-5)16-24(29)25-14-23(28)26-19-12-17(3)8-10-20(19)30-4/h8-13H,6-7,14-16H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyYPZITXXSZLHIQC-UHFFFAOYSA-N
MW443.54 g/mol
LogP2.99
Rot. Bonds12

About 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 16620475) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID16620475
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Name2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)NCC(=O)Nc2cc(C)ccc2OC)cc1OC
InChIInChI=1S/C24H33N3O5/c1-6-27(15-18-9-11-21(32-7-2)22(13-18)31-5)16-24(29)25-14-23(28)26-19-12-17(3)8-10-20(19)30-4/h8-13H,6-7,14-16H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyYPZITXXSZLHIQC-UHFFFAOYSA-N
XLogP2.99
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18151896
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 16962761
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18229693
2-[[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27201256
N-(2,3-dimethylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18151887
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18151902
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
ethyl 4-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]benzoate
CID 16608706
N-cyclopropyl-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 31691063
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 9494576
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9058407
N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620426

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 16620475) is 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is CCOc1ccc(CN(CC)CC(=O)NCC(=O)Nc2cc(C)ccc2OC)cc1OC.
What is the InChIKey of 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is YPZITXXSZLHIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5/c1-6-27(15-18-9-11-21(32-7-2)22(13-18)31-5)16-24(29)25-14-23(28)26-19-12-17(3)8-10-20(19)30-4/h8-13H,6-7,14-16H2,1-5H3,(H,25,29)(H,26,28).
What are the key properties of 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 443.54 g/mol, XLogP of 2.99, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 16620475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).