N-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide

C26H28F2N2O4 — CID 25110751

IUPACN-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide
SMILESCOc1ccc(OCCN(CC(=O)NCc2ccccc2)Cc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C26H28F2N2O4/c1-32-24-11-9-21(15-25(24)33-2)34-13-12-30(17-20-8-10-22(27)23(28)14-20)18-26(31)29-16-19-6-4-3-5-7-19/h3-11,14-15H,12-13,16-18H2,1-2H3,(H,29,31)
InChIKeyRDXCKOPSQQRRED-UHFFFAOYSA-N
MW470.52 g/mol
LogP4.18
Rot. Bonds12

About N-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide

N-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide (PubChem CID 25110751) has the molecular formula C26H28F2N2O4 and a molecular weight of 470.52 g/mol. Its IUPAC name is N-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide
PubChem CID25110751
Molecular FormulaC26H28F2N2O4
Molecular Weight470.52 g/mol
Exact Mass470.20
IUPAC NameN-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide
SMILESCOc1ccc(OCCN(CC(=O)NCc2ccccc2)Cc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C26H28F2N2O4/c1-32-24-11-9-21(15-25(24)33-2)34-13-12-30(17-20-8-10-22(27)23(28)14-20)18-26(31)29-16-19-6-4-3-5-7-19/h3-11,14-15H,12-13,16-18H2,1-2H3,(H,29,31)
InChIKeyRDXCKOPSQQRRED-UHFFFAOYSA-N
XLogP4.18
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-dimethoxyphenoxy)ethyl-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)acetamide
CID 25127474
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9349212
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 27250281
N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16608734
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 32663206
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679
2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide
CID 87015047
N-[(4-fluorophenyl)methyl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide
CID 60517286
N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 30256831
N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide
CID 46064845
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide?
The IUPAC name of N-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide (CID 25110751) is N-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide is COc1ccc(OCCN(CC(=O)NCc2ccccc2)Cc2ccc(F)c(F)c2)cc1OC.
What is the InChIKey of N-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide?
The InChIKey is RDXCKOPSQQRRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O4/c1-32-24-11-9-21(15-25(24)33-2)34-13-12-30(17-20-8-10-22(27)23(28)14-20)18-26(31)29-16-19-6-4-3-5-7-19/h3-11,14-15H,12-13,16-18H2,1-2H3,(H,29,31).
What are the key properties of N-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide?
N-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide has a molecular weight of 470.52 g/mol, XLogP of 4.18, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide is sourced from PubChem (CID 25110751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).