3-tert-butyl-4-methoxy-N-propylbenzamide

C15H23NO2 — CID 110761278

IUPAC3-tert-butyl-4-methoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H23NO2/c1-6-9-16-14(17)11-7-8-13(18-5)12(10-11)15(2,3)4/h7-8,10H,6,9H2,1-5H3,(H,16,17)
InChIKeyFGNXQSIXYWKOGT-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.13
Rot. Bonds4

About 3-tert-butyl-4-methoxy-N-propylbenzamide

3-tert-butyl-4-methoxy-N-propylbenzamide (PubChem CID 110761278) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-tert-butyl-4-methoxy-N-propylbenzamide.

Molecular Properties

Compound Name3-tert-butyl-4-methoxy-N-propylbenzamide
PubChem CID110761278
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-tert-butyl-4-methoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H23NO2/c1-6-9-16-14(17)11-7-8-13(18-5)12(10-11)15(2,3)4/h7-8,10H,6,9H2,1-5H3,(H,16,17)
InChIKeyFGNXQSIXYWKOGT-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
CID 65368631
3-acetamido-4-methoxy-N-propylbenzamide
CID 110764204
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
CID 79733240
1-(3-tert-butyl-4-methoxyphenyl)-2-sulfanylethanone
CID 82129796
1-(3-tert-butyl-4-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 95468528
2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone
CID 82048891
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide
CID 110761309
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218730

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methoxy-N-propylbenzamide?
The IUPAC name of 3-tert-butyl-4-methoxy-N-propylbenzamide (CID 110761278) is 3-tert-butyl-4-methoxy-N-propylbenzamide.
What is the SMILES notation for 3-tert-butyl-4-methoxy-N-propylbenzamide?
The canonical SMILES for 3-tert-butyl-4-methoxy-N-propylbenzamide is CCCNC(=O)c1ccc(OC)c(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-4-methoxy-N-propylbenzamide?
The InChIKey is FGNXQSIXYWKOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-9-16-14(17)11-7-8-13(18-5)12(10-11)15(2,3)4/h7-8,10H,6,9H2,1-5H3,(H,16,17).
What are the key properties of 3-tert-butyl-4-methoxy-N-propylbenzamide?
3-tert-butyl-4-methoxy-N-propylbenzamide has a molecular weight of 249.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methoxy-N-propylbenzamide is sourced from PubChem (CID 110761278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).