N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide

C18H21NO3 — CID 17160544

IUPACN-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
SMILESCCC(C)Oc1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-4-13(2)22-17-11-7-15(8-12-17)19-18(20)14-5-9-16(21-3)10-6-14/h5-13H,4H2,1-3H3,(H,19,20)
InChIKeyJGWKTIFMYQSNJP-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.12
Rot. Bonds6

About N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide

N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide (PubChem CID 17160544) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
PubChem CID17160544
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
SMILESCCC(C)Oc1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-4-13(2)22-17-11-7-15(8-12-17)19-18(20)14-5-9-16(21-3)10-6-14/h5-13H,4H2,1-3H3,(H,19,20)
InChIKeyJGWKTIFMYQSNJP-UHFFFAOYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313
4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
CID 119298184
N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide
CID 40625135
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide
CID 112980466
N-[(4-butan-2-yloxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17160769
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
CID 17160272
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide?
The IUPAC name of N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide (CID 17160544) is N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide.
What is the SMILES notation for N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide?
The canonical SMILES for N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide is CCC(C)Oc1ccc(NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide?
The InChIKey is JGWKTIFMYQSNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-13(2)22-17-11-7-15(8-12-17)19-18(20)14-5-9-16(21-3)10-6-14/h5-13H,4H2,1-3H3,(H,19,20).
What are the key properties of N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide?
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide has a molecular weight of 299.37 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide is sourced from PubChem (CID 17160544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).