4-propan-2-yl-N-(4-propoxyphenyl)benzamide

C19H23NO2 — CID 17177442

IUPAC4-propan-2-yl-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-4-13-22-18-11-9-17(10-12-18)20-19(21)16-7-5-15(6-8-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21)
InChIKeyZZAHKQAIQUJLBC-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.85
Rot. Bonds6

About 4-propan-2-yl-N-(4-propoxyphenyl)benzamide

4-propan-2-yl-N-(4-propoxyphenyl)benzamide (PubChem CID 17177442) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-propan-2-yl-N-(4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(4-propoxyphenyl)benzamide
PubChem CID17177442
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-propan-2-yl-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-4-13-22-18-11-9-17(10-12-18)20-19(21)16-7-5-15(6-8-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21)
InChIKeyZZAHKQAIQUJLBC-UHFFFAOYSA-N
XLogP4.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313
4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide
CID 17177445
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide
CID 17177481
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-propan-2-ylbenzamide
CID 32943301
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
N-(2-methoxyethyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 17218276
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17160202

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(4-propoxyphenyl)benzamide?
The IUPAC name of 4-propan-2-yl-N-(4-propoxyphenyl)benzamide (CID 17177442) is 4-propan-2-yl-N-(4-propoxyphenyl)benzamide.
What is the SMILES notation for 4-propan-2-yl-N-(4-propoxyphenyl)benzamide?
The canonical SMILES for 4-propan-2-yl-N-(4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 4-propan-2-yl-N-(4-propoxyphenyl)benzamide?
The InChIKey is ZZAHKQAIQUJLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-13-22-18-11-9-17(10-12-18)20-19(21)16-7-5-15(6-8-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21).
What are the key properties of 4-propan-2-yl-N-(4-propoxyphenyl)benzamide?
4-propan-2-yl-N-(4-propoxyphenyl)benzamide has a molecular weight of 297.40 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(4-propoxyphenyl)benzamide is sourced from PubChem (CID 17177442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).