4-butoxy-N-(3-hexoxyphenyl)benzamide

C23H31NO3 — CID 17094812

IUPAC4-butoxy-N-(3-hexoxyphenyl)benzamide
SMILESCCCCCCOc1cccc(NC(=O)c2ccc(OCCCC)cc2)c1
InChIInChI=1S/C23H31NO3/c1-3-5-7-8-17-27-22-11-9-10-20(18-22)24-23(25)19-12-14-21(15-13-19)26-16-6-4-2/h9-15,18H,3-8,16-17H2,1-2H3,(H,24,25)
InChIKeyWRCBLOWMUJWMMA-UHFFFAOYSA-N
MW369.51 g/mol
LogP6.08
Rot. Bonds12

About 4-butoxy-N-(3-hexoxyphenyl)benzamide

4-butoxy-N-(3-hexoxyphenyl)benzamide (PubChem CID 17094812) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-butoxy-N-(3-hexoxyphenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(3-hexoxyphenyl)benzamide
PubChem CID17094812
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name4-butoxy-N-(3-hexoxyphenyl)benzamide
SMILESCCCCCCOc1cccc(NC(=O)c2ccc(OCCCC)cc2)c1
InChIInChI=1S/C23H31NO3/c1-3-5-7-8-17-27-22-11-9-10-20(18-22)24-23(25)19-12-14-21(15-13-19)26-16-6-4-2/h9-15,18H,3-8,16-17H2,1-2H3,(H,24,25)
InChIKeyWRCBLOWMUJWMMA-UHFFFAOYSA-N
XLogP6.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 56.08
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

1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
4-hydroxy-N-(3-pentoxyphenyl)benzamide
CID 54418426
N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide
CID 17123828
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide
CID 17177482
4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
CID 17141359
4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
CID 17141337

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(3-hexoxyphenyl)benzamide?
The IUPAC name of 4-butoxy-N-(3-hexoxyphenyl)benzamide (CID 17094812) is 4-butoxy-N-(3-hexoxyphenyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(3-hexoxyphenyl)benzamide?
The canonical SMILES for 4-butoxy-N-(3-hexoxyphenyl)benzamide is CCCCCCOc1cccc(NC(=O)c2ccc(OCCCC)cc2)c1.
What is the InChIKey of 4-butoxy-N-(3-hexoxyphenyl)benzamide?
The InChIKey is WRCBLOWMUJWMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-3-5-7-8-17-27-22-11-9-10-20(18-22)24-23(25)19-12-14-21(15-13-19)26-16-6-4-2/h9-15,18H,3-8,16-17H2,1-2H3,(H,24,25).
What are the key properties of 4-butoxy-N-(3-hexoxyphenyl)benzamide?
4-butoxy-N-(3-hexoxyphenyl)benzamide has a molecular weight of 369.51 g/mol, XLogP of 6.08, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(3-hexoxyphenyl)benzamide is sourced from PubChem (CID 17094812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).