4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide

C20H25NO3 — CID 7997659

IUPAC4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H25NO3/c1-3-4-15-24-19-11-7-17(8-12-19)20(22)21-14-13-16-5-9-18(23-2)10-6-16/h5-12H,3-4,13-15H2,1-2H3,(H,21,22)
InChIKeyBGDNQXWLEAWVDM-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.85
Rot. Bonds9

About 4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide

4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 7997659) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID7997659
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H25NO3/c1-3-4-15-24-19-11-7-17(8-12-19)20(22)21-14-13-16-5-9-18(23-2)10-6-16/h5-12H,3-4,13-15H2,1-2H3,(H,21,22)
InChIKeyBGDNQXWLEAWVDM-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
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

4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
CID 119284651
4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17371674
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
4-methoxy-N-pentylbenzamide
CID 3113360
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-methoxy-N-nonylbenzamide
CID 3557385
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
N-butyl-4-propoxybenzamide
CID 17142951
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 7997659) is 4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide is CCCCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is BGDNQXWLEAWVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-4-15-24-19-11-7-17(8-12-19)20(22)21-14-13-16-5-9-18(23-2)10-6-16/h5-12H,3-4,13-15H2,1-2H3,(H,21,22).
What are the key properties of 4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 327.42 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 7997659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).