4-hexoxy-N-(3-methoxyphenyl)benzamide

C20H25NO3 — CID 4933605

IUPAC4-hexoxy-N-(3-methoxyphenyl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C20H25NO3/c1-3-4-5-6-14-24-18-12-10-16(11-13-18)20(22)21-17-8-7-9-19(15-17)23-2/h7-13,15H,3-6,14H2,1-2H3,(H,21,22)
InChIKeyLWQNCLIALSADQR-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.91
Rot. Bonds9

About 4-hexoxy-N-(3-methoxyphenyl)benzamide

4-hexoxy-N-(3-methoxyphenyl)benzamide (PubChem CID 4933605) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-hexoxy-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-hexoxy-N-(3-methoxyphenyl)benzamide
PubChem CID4933605
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-hexoxy-N-(3-methoxyphenyl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C20H25NO3/c1-3-4-5-6-14-24-18-12-10-16(11-13-18)20(22)21-17-8-7-9-19(15-17)23-2/h7-13,15H,3-6,14H2,1-2H3,(H,21,22)
InChIKeyLWQNCLIALSADQR-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

4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide
CID 17123828
4-hydroxy-N-(3-pentoxyphenyl)benzamide
CID 54418426
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 4-hexoxy-N-(3-methoxyphenyl)benzamide (CID 4933605) is 4-hexoxy-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 4-hexoxy-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 4-hexoxy-N-(3-methoxyphenyl)benzamide is CCCCCCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of 4-hexoxy-N-(3-methoxyphenyl)benzamide?
The InChIKey is LWQNCLIALSADQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-4-5-6-14-24-18-12-10-16(11-13-18)20(22)21-17-8-7-9-19(15-17)23-2/h7-13,15H,3-6,14H2,1-2H3,(H,21,22).
What are the key properties of 4-hexoxy-N-(3-methoxyphenyl)benzamide?
4-hexoxy-N-(3-methoxyphenyl)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 4-hexoxy-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 4933605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).