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

C20H23F2N3O4 — CID 8845299

IUPACN-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C20H23F2N3O4/c1-25(11-13-4-7-17(28-2)18(8-13)29-3)12-20(27)23-10-19(26)24-14-5-6-15(21)16(22)9-14/h4-9H,10-12H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyQAKXXXAEXPIGTD-UHFFFAOYSA-N
MW407.42 g/mol
LogP2.17
Rot. Bonds9

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

N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide (PubChem CID 8845299) has the molecular formula C20H23F2N3O4 and a molecular weight of 407.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
PubChem CID8845299
Molecular FormulaC20H23F2N3O4
Molecular Weight407.42 g/mol
Exact Mass407.17
IUPAC NameN-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C20H23F2N3O4/c1-25(11-13-4-7-17(28-2)18(8-13)29-3)12-20(27)23-10-19(26)24-14-5-6-15(21)16(22)9-14/h4-9H,10-12H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyQAKXXXAEXPIGTD-UHFFFAOYSA-N
XLogP2.17
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide (CID 8845299) is N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide is COc1ccc(CN(C)CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1OC.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide?
The InChIKey is QAKXXXAEXPIGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O4/c1-25(11-13-4-7-17(28-2)18(8-13)29-3)12-20(27)23-10-19(26)24-14-5-6-15(21)16(22)9-14/h4-9H,10-12H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide?
N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide has a molecular weight of 407.42 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide is sourced from PubChem (CID 8845299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).