2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide

C27H29ClN2O4 — CID 86810141

IUPAC2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(C(C(=O)NCCc2ccccc2)N(Cc2ccccc2OC)C(=O)CCl)cc1
InChIInChI=1S/C27H29ClN2O4/c1-33-23-14-12-21(13-15-23)26(27(32)29-17-16-20-8-4-3-5-9-20)30(25(31)18-28)19-22-10-6-7-11-24(22)34-2/h3-15,26H,16-19H2,1-2H3,(H,29,32)
InChIKeySONYIYVWNYGXDF-UHFFFAOYSA-N
MW480.99 g/mol
LogP4.37
Rot. Bonds11

About 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide

2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide (PubChem CID 86810141) has the molecular formula C27H29ClN2O4 and a molecular weight of 480.99 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
PubChem CID86810141
Molecular FormulaC27H29ClN2O4
Molecular Weight480.99 g/mol
Exact Mass480.18
IUPAC Name2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(C(C(=O)NCCc2ccccc2)N(Cc2ccccc2OC)C(=O)CCl)cc1
InChIInChI=1S/C27H29ClN2O4/c1-33-23-14-12-21(13-15-23)26(27(32)29-17-16-20-8-4-3-5-9-20)30(25(31)18-28)19-22-10-6-7-11-24(22)34-2/h3-15,26H,16-19H2,1-2H3,(H,29,32)
InChIKeySONYIYVWNYGXDF-UHFFFAOYSA-N
XLogP4.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.99
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791
N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide
CID 133238726
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 133237038
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238865
N-[(4-methoxyphenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]butanamide
CID 133238737
2-[benzyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-methoxyphenyl)acetamide
CID 86810113
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide
CID 133238520
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237216
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238571
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237763
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133236661

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide (CID 86810141) is 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide is COc1ccc(C(C(=O)NCCc2ccccc2)N(Cc2ccccc2OC)C(=O)CCl)cc1.
What is the InChIKey of 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide?
The InChIKey is SONYIYVWNYGXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O4/c1-33-23-14-12-21(13-15-23)26(27(32)29-17-16-20-8-4-3-5-9-20)30(25(31)18-28)19-22-10-6-7-11-24(22)34-2/h3-15,26H,16-19H2,1-2H3,(H,29,32).
What are the key properties of 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide?
2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide has a molecular weight of 480.99 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 86810141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).