2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide

C23H28F2N2O4 — CID 55639451

IUPAC2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(CN3CC(C)OC(C)C3)cc2)c1OC(F)F
InChIInChI=1S/C23H28F2N2O4/c1-15-12-27(13-16(2)30-15)14-18-9-7-17(8-10-18)11-26-22(28)19-5-4-6-20(29-3)21(19)31-23(24)25/h4-10,15-16,23H,11-14H2,1-3H3,(H,26,28)
InChIKeyUZTJRHKAUUAANH-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.84
Rot. Bonds8

About 2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide

2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide (PubChem CID 55639451) has the molecular formula C23H28F2N2O4 and a molecular weight of 434.48 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide
PubChem CID55639451
Molecular FormulaC23H28F2N2O4
Molecular Weight434.48 g/mol
Exact Mass434.20
IUPAC Name2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(CN3CC(C)OC(C)C3)cc2)c1OC(F)F
InChIInChI=1S/C23H28F2N2O4/c1-15-12-27(13-16(2)30-15)14-18-9-7-17(8-10-18)11-26-22(28)19-5-4-6-20(29-3)21(19)31-23(24)25/h4-10,15-16,23H,11-14H2,1-3H3,(H,26,28)
InChIKeyUZTJRHKAUUAANH-UHFFFAOYSA-N
XLogP3.84
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide
CID 55674589
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 51158712
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 46449419
(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine
CID 51924313
2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide
CID 86822451
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
2-(difluoromethoxy)-3-methoxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 86820780
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 55637143
methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate
CID 47057996

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide (CID 55639451) is 2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2ccc(CN3CC(C)OC(C)C3)cc2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide?
The InChIKey is UZTJRHKAUUAANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O4/c1-15-12-27(13-16(2)30-15)14-18-9-7-17(8-10-18)11-26-22(28)19-5-4-6-20(29-3)21(19)31-23(24)25/h4-10,15-16,23H,11-14H2,1-3H3,(H,26,28).
What are the key properties of 2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide?
2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide has a molecular weight of 434.48 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 55639451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).