2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide

C25H27N3O4 — CID 2657576

IUPAC2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C25H27N3O4/c1-28(16-18-13-14-22(31-2)23(15-18)32-3)17-24(29)27-21-12-8-7-11-20(21)25(30)26-19-9-5-4-6-10-19/h4-15H,16-17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyDSKLDCFXRJRMKT-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.03
Rot. Bonds9

About 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide

2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide (PubChem CID 2657576) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
PubChem CID2657576
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C25H27N3O4/c1-28(16-18-13-14-22(31-2)23(15-18)32-3)17-24(29)27-21-12-8-7-11-20(21)25(30)26-19-9-5-4-6-10-19/h4-15H,16-17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyDSKLDCFXRJRMKT-UHFFFAOYSA-N
XLogP4.03
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 17426103
N-(2-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698878
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
CID 16555072
N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
CID 8586985
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 9058399
2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide
CID 15008953
N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2657488
2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27218006
N-(4-fluorophenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434497
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9058407

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide (CID 2657576) is 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide is COc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide?
The InChIKey is DSKLDCFXRJRMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-28(16-18-13-14-22(31-2)23(15-18)32-3)17-24(29)27-21-12-8-7-11-20(21)25(30)26-19-9-5-4-6-10-19/h4-15H,16-17H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide?
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide has a molecular weight of 433.51 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 2657576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).