2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide

C29H34N2O4 — CID 133236926

IUPAC2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide
SMILESCCCCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C29H34N2O4/c1-4-5-18-30-29(33)28(24-14-10-7-11-15-24)31(21-22-12-8-6-9-13-22)27(32)20-23-16-17-25(34-2)26(19-23)35-3/h6-17,19,28H,4-5,18,20-21H2,1-3H3,(H,30,33)
InChIKeyXUKMGKZOXBPWEI-UHFFFAOYSA-N
MW474.60 g/mol
LogP4.93
Rot. Bonds12

About 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide

2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide (PubChem CID 133236926) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide
PubChem CID133236926
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Name2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide
SMILESCCCCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C29H34N2O4/c1-4-5-18-30-29(33)28(24-14-10-7-11-15-24)31(21-22-12-8-6-9-13-22)27(32)20-23-16-17-25(34-2)26(19-23)35-3/h6-17,19,28H,4-5,18,20-21H2,1-3H3,(H,30,33)
InChIKeyXUKMGKZOXBPWEI-UHFFFAOYSA-N
XLogP4.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
CID 133236927
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 133237469
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238571
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238582
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 133238567
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide
CID 133237738
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 133238575
N-[(4-chlorophenyl)methyl]-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]propanamide
CID 133237597
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 133237484
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 133236390
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-ethoxypropyl)-3-phenylpropanamide
CID 133214958

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide?
The IUPAC name of 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide (CID 133236926) is 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide.
What is the SMILES notation for 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide?
The canonical SMILES for 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide is CCCCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide?
The InChIKey is XUKMGKZOXBPWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-4-5-18-30-29(33)28(24-14-10-7-11-15-24)31(21-22-12-8-6-9-13-22)27(32)20-23-16-17-25(34-2)26(19-23)35-3/h6-17,19,28H,4-5,18,20-21H2,1-3H3,(H,30,33).
What are the key properties of 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide?
2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide has a molecular weight of 474.60 g/mol, XLogP of 4.93, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide is sourced from PubChem (CID 133236926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).