N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide

C26H29FN2O4 — CID 3478326

IUPACN-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
SMILESCOCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C26H29FN2O4/c1-19-4-9-22(10-5-19)26(31)28(14-15-32-3)18-25(30)29(17-24-13-6-20(2)33-24)16-21-7-11-23(27)12-8-21/h4-13H,14-18H2,1-3H3
InChIKeyDXJJEOSAEGETPM-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.35
Rot. Bonds10

About N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide

N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide (PubChem CID 3478326) has the molecular formula C26H29FN2O4 and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
PubChem CID3478326
Molecular FormulaC26H29FN2O4
Molecular Weight452.53 g/mol
Exact Mass452.21
IUPAC NameN-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
SMILESCOCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C26H29FN2O4/c1-19-4-9-22(10-5-19)26(31)28(14-15-32-3)18-25(30)29(17-24-13-6-20(2)33-24)16-21-7-11-23(27)12-8-21/h4-13H,14-18H2,1-3H3
InChIKeyDXJJEOSAEGETPM-UHFFFAOYSA-N
XLogP4.35
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxypropyl)-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4695356
4-bromo-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4088563
2-[(2,6-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4092311
4-fluoro-N-(3-methoxypropyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 4284944
2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4054037
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 5054945
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]butanamide
CID 4163452
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4199823
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 3430800
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 4140572
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylheptanamide
CID 4118080
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)benzamide
CID 4056444

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide (CID 3478326) is N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide is COCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide?
The InChIKey is DXJJEOSAEGETPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O4/c1-19-4-9-22(10-5-19)26(31)28(14-15-32-3)18-25(30)29(17-24-13-6-20(2)33-24)16-21-7-11-23(27)12-8-21/h4-13H,14-18H2,1-3H3.
What are the key properties of N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide?
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide has a molecular weight of 452.53 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide is sourced from PubChem (CID 3478326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).