4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide

C18H21NO3 — CID 75396537

IUPAC4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide
SMILESCCCOc1ccc(COc2cc(C)ccc2C(N)=O)cc1
InChIInChI=1S/C18H21NO3/c1-3-10-21-15-7-5-14(6-8-15)12-22-17-11-13(2)4-9-16(17)18(19)20/h4-9,11H,3,10,12H2,1-2H3,(H2,19,20)
InChIKeyWSHFRRUJZCECMR-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.46
Rot. Bonds7

About 4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide

4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide (PubChem CID 75396537) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide.

Molecular Properties

Compound Name4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide
PubChem CID75396537
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide
SMILESCCCOc1ccc(COc2cc(C)ccc2C(N)=O)cc1
InChIInChI=1S/C18H21NO3/c1-3-10-21-15-7-5-14(6-8-15)12-22-17-11-13(2)4-9-16(17)18(19)20/h4-9,11H,3,10,12H2,1-2H3,(H2,19,20)
InChIKeyWSHFRRUJZCECMR-UHFFFAOYSA-N
XLogP3.46
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide
CID 78833008
2-(2-aminoethoxy)-4-methylbenzamide
CID 62349382
2-(2-hydroxyethoxy)-4-methylbenzamide
CID 67742497
(4-propoxyphenyl)methyl acetate
CID 150263336
2-[4-(aminomethyl)phenoxy]-4-methylbenzamide
CID 106485646
bis[(4-butoxyphenyl)methyl] oxalate
CID 23367588
N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
CID 76938735
bis[(4-butoxyphenyl)methyl] carbonate
CID 54373584
2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide
CID 57071243
(4-nonoxyphenyl)methyl carbamate
CID 154021041
2-(4-aminophenoxy)-4-methylbenzamide
CID 62308033

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide?
The IUPAC name of 4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide (CID 75396537) is 4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide.
What is the SMILES notation for 4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide?
The canonical SMILES for 4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide is CCCOc1ccc(COc2cc(C)ccc2C(N)=O)cc1.
What is the InChIKey of 4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide?
The InChIKey is WSHFRRUJZCECMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-10-21-15-7-5-14(6-8-15)12-22-17-11-13(2)4-9-16(17)18(19)20/h4-9,11H,3,10,12H2,1-2H3,(H2,19,20).
What are the key properties of 4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide?
4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide has a molecular weight of 299.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide is sourced from PubChem (CID 75396537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).