3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide

C26H28N2O4 — CID 167758770

IUPAC3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(OCc2ccc(COc3cccc(C(=O)N(C)C)c3)cc2)c1
InChIInChI=1S/C26H28N2O4/c1-27(2)25(29)21-7-5-9-23(15-21)31-17-19-11-13-20(14-12-19)18-32-24-10-6-8-22(16-24)26(30)28(3)4/h5-16H,17-18H2,1-4H3
InChIKeyZNXQVQCRBCUTTJ-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.25
Rot. Bonds8

About 3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide

3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide (PubChem CID 167758770) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
PubChem CID167758770
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(OCc2ccc(COc3cccc(C(=O)N(C)C)c3)cc2)c1
InChIInChI=1S/C26H28N2O4/c1-27(2)25(29)21-7-5-9-23(15-21)31-17-19-11-13-20(14-12-19)18-32-24-10-6-8-22(16-24)26(30)28(3)4/h5-16H,17-18H2,1-4H3
InChIKeyZNXQVQCRBCUTTJ-UHFFFAOYSA-N
XLogP4.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone
CID 39205554
N,N-dimethyl-3-propoxybenzamide
CID 28639811
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
N-(1-aminopropan-2-yl)-N-methyl-3-phenylmethoxybenzamide;hydrochloride
CID 119583865
N,N-dimethyl-4-[(4-methylphenoxy)methyl]benzamide
CID 86978503
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate
CID 40910833
2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
CID 105344808
N-[(2-fluorophenyl)methyl]-N-methyl-3-phenylmethoxybenzamide
CID 30253357
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
3-[(4-butylphenyl)methoxy]benzoic acid
CID 66912959

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide (CID 167758770) is 3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(OCc2ccc(COc3cccc(C(=O)N(C)C)c3)cc2)c1.
What is the InChIKey of 3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide?
The InChIKey is ZNXQVQCRBCUTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-27(2)25(29)21-7-5-9-23(15-21)31-17-19-11-13-20(14-12-19)18-32-24-10-6-8-22(16-24)26(30)28(3)4/h5-16H,17-18H2,1-4H3.
What are the key properties of 3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide?
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide has a molecular weight of 432.52 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 167758770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).