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

C29H34N2O4 — CID 133236927

IUPAC2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccccc2)C(C(=O)NCC(C)C)c2ccccc2)cc1OC
InChIInChI=1S/C29H34N2O4/c1-21(2)19-30-29(33)28(24-13-9-6-10-14-24)31(20-22-11-7-5-8-12-22)27(32)18-23-15-16-25(34-3)26(17-23)35-4/h5-17,21,28H,18-20H2,1-4H3,(H,30,33)
InChIKeyGLSSDDDBGDNORG-UHFFFAOYSA-N
MW474.60 g/mol
LogP4.79
Rot. Bonds11

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

2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide (PubChem CID 133236927) 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-(2-methylpropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
PubChem CID133236927
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Name2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccccc2)C(C(=O)NCC(C)C)c2ccccc2)cc1OC
InChIInChI=1S/C29H34N2O4/c1-21(2)19-30-29(33)28(24-13-9-6-10-14-24)31(20-22-11-7-5-8-12-22)27(32)18-23-15-16-25(34-3)26(17-23)35-4/h5-17,21,28H,18-20H2,1-4H3,(H,30,33)
InChIKeyGLSSDDDBGDNORG-UHFFFAOYSA-N
XLogP4.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide
CID 133236926
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
2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 133149263
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 133238575
2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133213931
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 133237484
N-[(4-chlorophenyl)methyl]-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]propanamide
CID 133237597
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-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 133238029

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide?
The IUPAC name of 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide (CID 133236927) is 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide.
What is the SMILES notation for 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide?
The canonical SMILES for 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide is COc1ccc(CC(=O)N(Cc2ccccc2)C(C(=O)NCC(C)C)c2ccccc2)cc1OC.
What is the InChIKey of 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide?
The InChIKey is GLSSDDDBGDNORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-21(2)19-30-29(33)28(24-13-9-6-10-14-24)31(20-22-11-7-5-8-12-22)27(32)18-23-15-16-25(34-3)26(17-23)35-4/h5-17,21,28H,18-20H2,1-4H3,(H,30,33).
What are the key properties of 2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide?
2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide has a molecular weight of 474.60 g/mol, XLogP of 4.79, 11 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-(2-methylpropyl)-2-phenylacetamide is sourced from PubChem (CID 133236927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).