2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide

C33H32Cl2N2O5 — CID 133237445

IUPAC2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide
SMILESCOc1ccc(CCNC(=O)C(c2ccccc2)N(Cc2ccc(Cl)cc2)C(=O)COc2ccccc2Cl)cc1OC
InChIInChI=1S/C33H32Cl2N2O5/c1-40-29-17-14-23(20-30(29)41-2)18-19-36-33(39)32(25-8-4-3-5-9-25)37(21-24-12-15-26(34)16-13-24)31(38)22-42-28-11-7-6-10-27(28)35/h3-17,20,32H,18-19,21-22H2,1-2H3,(H,36,39)
InChIKeyPTFZIBNTYMFONP-UHFFFAOYSA-N
MW607.53 g/mol
LogP6.52
Rot. Bonds13

About 2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide

2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide (PubChem CID 133237445) has the molecular formula C33H32Cl2N2O5 and a molecular weight of 607.53 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide
PubChem CID133237445
Molecular FormulaC33H32Cl2N2O5
Molecular Weight607.53 g/mol
Exact Mass606.17
IUPAC Name2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide
SMILESCOc1ccc(CCNC(=O)C(c2ccccc2)N(Cc2ccc(Cl)cc2)C(=O)COc2ccccc2Cl)cc1OC
InChIInChI=1S/C33H32Cl2N2O5/c1-40-29-17-14-23(20-30(29)41-2)18-19-36-33(39)32(25-8-4-3-5-9-25)37(21-24-12-15-26(34)16-13-24)31(38)22-42-28-11-7-6-10-27(28)35/h3-17,20,32H,18-19,21-22H2,1-2H3,(H,36,39)
InChIKeyPTFZIBNTYMFONP-UHFFFAOYSA-N
XLogP6.52
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.53
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]propanamide
CID 133237597
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide
CID 133238520
N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 133237469
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide
CID 133238532
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
CID 133238530
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 133236903
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]-2-phenylacetamide
CID 133236897
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133238462
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide
CID 133236921
2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 133149255
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-2-phenylacetamide
CID 133238372
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133236895

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide (CID 133237445) is 2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide is COc1ccc(CCNC(=O)C(c2ccccc2)N(Cc2ccc(Cl)cc2)C(=O)COc2ccccc2Cl)cc1OC.
What is the InChIKey of 2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide?
The InChIKey is PTFZIBNTYMFONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32Cl2N2O5/c1-40-29-17-14-23(20-30(29)41-2)18-19-36-33(39)32(25-8-4-3-5-9-25)37(21-24-12-15-26(34)16-13-24)31(38)22-42-28-11-7-6-10-27(28)35/h3-17,20,32H,18-19,21-22H2,1-2H3,(H,36,39).
What are the key properties of 2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide?
2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide has a molecular weight of 607.53 g/mol, XLogP of 6.52, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 133237445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).