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

C20H25NO3 — CID 4943156

IUPAC2-butoxy-N-(4-propoxyphenyl)benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C20H25NO3/c1-3-5-15-24-19-9-7-6-8-18(19)20(22)21-16-10-12-17(13-11-16)23-14-4-2/h6-13H,3-5,14-15H2,1-2H3,(H,21,22)
InChIKeyKWJJFMPPDROABW-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.91
Rot. Bonds9

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

2-butoxy-N-(4-propoxyphenyl)benzamide (PubChem CID 4943156) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-butoxy-N-(4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name2-butoxy-N-(4-propoxyphenyl)benzamide
PubChem CID4943156
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-butoxy-N-(4-propoxyphenyl)benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C20H25NO3/c1-3-5-15-24-19-9-7-6-8-18(19)20(22)21-16-10-12-17(13-11-16)23-14-4-2/h6-13H,3-5,14-15H2,1-2H3,(H,21,22)
InChIKeyKWJJFMPPDROABW-UHFFFAOYSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628186
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide
CID 17045605
2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4941899
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
N-[(4-hexoxyphenyl)carbamothioyl]-2-propoxybenzamide
CID 4948875
N-(4-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130457
N-[(4-butoxyphenyl)carbamothioyl]-2-pentoxybenzamide
CID 4947260
2-iodo-N-(4-propoxyphenyl)benzamide
CID 4942969

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(4-propoxyphenyl)benzamide?
The IUPAC name of 2-butoxy-N-(4-propoxyphenyl)benzamide (CID 4943156) is 2-butoxy-N-(4-propoxyphenyl)benzamide.
What is the SMILES notation for 2-butoxy-N-(4-propoxyphenyl)benzamide?
The canonical SMILES for 2-butoxy-N-(4-propoxyphenyl)benzamide is CCCCOc1ccccc1C(=O)Nc1ccc(OCCC)cc1.
What is the InChIKey of 2-butoxy-N-(4-propoxyphenyl)benzamide?
The InChIKey is KWJJFMPPDROABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-5-15-24-19-9-7-6-8-18(19)20(22)21-16-10-12-17(13-11-16)23-14-4-2/h6-13H,3-5,14-15H2,1-2H3,(H,21,22).
What are the key properties of 2-butoxy-N-(4-propoxyphenyl)benzamide?
2-butoxy-N-(4-propoxyphenyl)benzamide has a molecular weight of 327.42 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(4-propoxyphenyl)benzamide is sourced from PubChem (CID 4943156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).