2-pentoxy-N-(4-propoxyphenyl)benzamide

C21H27NO3 — CID 4946753

IUPAC2-pentoxy-N-(4-propoxyphenyl)benzamide
SMILESCCCCCOc1ccccc1C(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C21H27NO3/c1-3-5-8-16-25-20-10-7-6-9-19(20)21(23)22-17-11-13-18(14-12-17)24-15-4-2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,22,23)
InChIKeyWFSAUAZUEYHSLI-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.30
Rot. Bonds10

About 2-pentoxy-N-(4-propoxyphenyl)benzamide

2-pentoxy-N-(4-propoxyphenyl)benzamide (PubChem CID 4946753) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-pentoxy-N-(4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name2-pentoxy-N-(4-propoxyphenyl)benzamide
PubChem CID4946753
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-pentoxy-N-(4-propoxyphenyl)benzamide
SMILESCCCCCOc1ccccc1C(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C21H27NO3/c1-3-5-8-16-25-20-10-7-6-9-19(20)21(23)22-17-11-13-18(14-12-17)24-15-4-2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,22,23)
InChIKeyWFSAUAZUEYHSLI-UHFFFAOYSA-N
XLogP5.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
N-[(4-hexoxyphenyl)carbamothioyl]-2-propoxybenzamide
CID 4948875
N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628186
N-(4-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130457
N-[(4-butoxyphenyl)carbamothioyl]-2-pentoxybenzamide
CID 4947260
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide
CID 17045605
N-[(4-heptoxyphenyl)carbamothioyl]-2-pentoxybenzamide
CID 4951666
2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4941899
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584

Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-N-(4-propoxyphenyl)benzamide?
The IUPAC name of 2-pentoxy-N-(4-propoxyphenyl)benzamide (CID 4946753) is 2-pentoxy-N-(4-propoxyphenyl)benzamide.
What is the SMILES notation for 2-pentoxy-N-(4-propoxyphenyl)benzamide?
The canonical SMILES for 2-pentoxy-N-(4-propoxyphenyl)benzamide is CCCCCOc1ccccc1C(=O)Nc1ccc(OCCC)cc1.
What is the InChIKey of 2-pentoxy-N-(4-propoxyphenyl)benzamide?
The InChIKey is WFSAUAZUEYHSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-3-5-8-16-25-20-10-7-6-9-19(20)21(23)22-17-11-13-18(14-12-17)24-15-4-2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,22,23).
What are the key properties of 2-pentoxy-N-(4-propoxyphenyl)benzamide?
2-pentoxy-N-(4-propoxyphenyl)benzamide has a molecular weight of 341.45 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-N-(4-propoxyphenyl)benzamide is sourced from PubChem (CID 4946753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).