2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide

C28H31ClN2O4 — CID 133238530

IUPAC2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2Cl)C(C(=O)NCC(C)C)c2ccccc2)cc1
InChIInChI=1S/C28H31ClN2O4/c1-20(2)17-30-28(33)27(22-9-5-4-6-10-22)31(18-21-13-15-23(34-3)16-14-21)26(32)19-35-25-12-8-7-11-24(25)29/h4-16,20,27H,17-19H2,1-3H3,(H,30,33)
InChIKeyCZNPRDOTLDEPHE-UHFFFAOYSA-N
MW495.02 g/mol
LogP5.27
Rot. Bonds11

About 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide

2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide (PubChem CID 133238530) has the molecular formula C28H31ClN2O4 and a molecular weight of 495.02 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
PubChem CID133238530
Molecular FormulaC28H31ClN2O4
Molecular Weight495.02 g/mol
Exact Mass494.20
IUPAC Name2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2Cl)C(C(=O)NCC(C)C)c2ccccc2)cc1
InChIInChI=1S/C28H31ClN2O4/c1-20(2)17-30-28(33)27(22-9-5-4-6-10-22)31(18-21-13-15-23(34-3)16-14-21)26(32)19-35-25-12-8-7-11-24(25)29/h4-16,20,27H,17-19H2,1-3H3,(H,30,33)
InChIKeyCZNPRDOTLDEPHE-UHFFFAOYSA-N
XLogP5.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.02
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide
CID 133238520
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]-2-phenyl-N-prop-2-enylacetamide
CID 133238462
N-benzyl-2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133236311
2-[(4-methoxyphenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132707489
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 133236903
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide
CID 133236921
2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 133237445
2-[[2-(2-fluorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132708312
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
CID 133238879
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]-2-phenylacetamide
CID 133236897
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-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide?
The IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide (CID 133238530) is 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide?
The canonical SMILES for 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide is COc1ccc(CN(C(=O)COc2ccccc2Cl)C(C(=O)NCC(C)C)c2ccccc2)cc1.
What is the InChIKey of 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide?
The InChIKey is CZNPRDOTLDEPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O4/c1-20(2)17-30-28(33)27(22-9-5-4-6-10-22)31(18-21-13-15-23(34-3)16-14-21)26(32)19-35-25-12-8-7-11-24(25)29/h4-16,20,27H,17-19H2,1-3H3,(H,30,33).
What are the key properties of 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide?
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide has a molecular weight of 495.02 g/mol, XLogP of 5.27, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide is sourced from PubChem (CID 133238530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).