N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C26H33N3O4 — CID 55728087

IUPACN-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C26H33N3O4/c1-5-29(6-2)15-16-31-25-10-8-7-9-22(25)17-27-26(30)21-11-13-23(14-12-21)32-18-24-19(3)28-33-20(24)4/h7-14H,5-6,15-18H2,1-4H3,(H,27,30)
InChIKeyGKOASDMJFOQUDP-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.52
Rot. Bonds12

About N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 55728087) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID55728087
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC NameN-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C26H33N3O4/c1-5-29(6-2)15-16-31-25-10-8-7-9-22(25)17-27-26(30)21-11-13-23(14-12-21)32-18-24-19(3)28-33-20(24)4/h7-14H,5-6,15-18H2,1-4H3,(H,27,30)
InChIKeyGKOASDMJFOQUDP-UHFFFAOYSA-N
XLogP4.52
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78781700
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 46480012
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 7971440
N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 26532706
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709579
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 41275870
2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 119946527
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 7535370
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 60513635
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 30177336
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881964

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 55728087) is N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is CCN(CC)CCOc1ccccc1CNC(=O)c1ccc(OCc2c(C)noc2C)cc1.
What is the InChIKey of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is GKOASDMJFOQUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-5-29(6-2)15-16-31-25-10-8-7-9-22(25)17-27-26(30)21-11-13-23(14-12-21)32-18-24-19(3)28-33-20(24)4/h7-14H,5-6,15-18H2,1-4H3,(H,27,30).
What are the key properties of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 451.57 g/mol, XLogP of 4.52, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 55728087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).