ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate

C35H38N2O4 — CID 71247934

IUPACethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate
SMILESCCOC(=O)COC(Cc1cccnc1C)c1ccc(CC(=O)NC(c2ccccc2)c2ccc(C)cc2C)cc1
InChIInChI=1S/C35H38N2O4/c1-5-40-34(39)23-41-32(22-30-12-9-19-36-26(30)4)28-16-14-27(15-17-28)21-33(38)37-35(29-10-7-6-8-11-29)31-18-13-24(2)20-25(31)3/h6-20,32,35H,5,21-23H2,1-4H3,(H,37,38)
InChIKeyDIKPODRRRJIBIO-UHFFFAOYSA-N
MW550.70 g/mol
LogP6.32
Rot. Bonds12

About ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate

ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate (PubChem CID 71247934) has the molecular formula C35H38N2O4 and a molecular weight of 550.70 g/mol. Its IUPAC name is ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate
PubChem CID71247934
Molecular FormulaC35H38N2O4
Molecular Weight550.70 g/mol
Exact Mass550.28
IUPAC Nameethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate
SMILESCCOC(=O)COC(Cc1cccnc1C)c1ccc(CC(=O)NC(c2ccccc2)c2ccc(C)cc2C)cc1
InChIInChI=1S/C35H38N2O4/c1-5-40-34(39)23-41-32(22-30-12-9-19-36-26(30)4)28-16-14-27(15-17-28)21-33(38)37-35(29-10-7-6-8-11-29)31-18-13-24(2)20-25(31)3/h6-20,32,35H,5,21-23H2,1-4H3,(H,37,38)
InChIKeyDIKPODRRRJIBIO-UHFFFAOYSA-N
XLogP6.32
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate with MolForge

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Related Compounds

N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide
CID 71494462
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide
CID 71494602
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide
CID 90186375
1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine
CID 90196751
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide
CID 144523614
2-(4-methylphenyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487393
N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinolin-6-yl]acetamide
CID 71247503
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide
CID 125167436
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71247130
2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71251104

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate?
The IUPAC name of ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate (CID 71247934) is ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate?
The canonical SMILES for ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate is CCOC(=O)COC(Cc1cccnc1C)c1ccc(CC(=O)NC(c2ccccc2)c2ccc(C)cc2C)cc1.
What is the InChIKey of ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate?
The InChIKey is DIKPODRRRJIBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2O4/c1-5-40-34(39)23-41-32(22-30-12-9-19-36-26(30)4)28-16-14-27(15-17-28)21-33(38)37-35(29-10-7-6-8-11-29)31-18-13-24(2)20-25(31)3/h6-20,32,35H,5,21-23H2,1-4H3,(H,37,38).
What are the key properties of ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate?
ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate has a molecular weight of 550.70 g/mol, XLogP of 6.32, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate is sourced from PubChem (CID 71247934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).