4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide

C20H25NO3 — CID 17141313

IUPAC4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C20H25NO3/c1-4-14-23-18-12-8-17(9-13-18)21-20(22)16-6-10-19(11-7-16)24-15(3)5-2/h6-13,15H,4-5,14H2,1-3H3,(H,21,22)
InChIKeyUHGJTIPQSXUKFA-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.91
Rot. Bonds8

About 4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide

4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide (PubChem CID 17141313) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
PubChem CID17141313
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C20H25NO3/c1-4-14-23-18-12-8-17(9-13-18)21-20(22)16-6-10-19(11-7-16)24-15(3)5-2/h6-13,15H,4-5,14H2,1-3H3,(H,21,22)
InChIKeyUHGJTIPQSXUKFA-UHFFFAOYSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.91
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
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
4-propan-2-yl-N-(4-propoxyphenyl)benzamide
CID 17177442
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
CID 119298184
N-[4-(2-ethoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130636
N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide
CID 17161659
3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide
CID 17149809
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17160202
4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
CID 17141359
4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
CID 17141337
4-butan-2-yloxy-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17141641

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide?
The IUPAC name of 4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide (CID 17141313) is 4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2ccc(OC(C)CC)cc2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide?
The InChIKey is UHGJTIPQSXUKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-14-23-18-12-8-17(9-13-18)21-20(22)16-6-10-19(11-7-16)24-15(3)5-2/h6-13,15H,4-5,14H2,1-3H3,(H,21,22).
What are the key properties of 4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide?
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide has a molecular weight of 327.42 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide is sourced from PubChem (CID 17141313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).