2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide

C25H32N2O3 — CID 26167542

IUPAC2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H32N2O3/c1-2-3-4-10-19-30-23-12-7-6-11-22(23)24(28)26-21-15-13-20(14-16-21)25(29)27-17-8-5-9-18-27/h6-7,11-16H,2-5,8-10,17-19H2,1H3,(H,26,28)
InChIKeyCAVAQIZUVUSJAG-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.52
Rot. Bonds9

About 2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide

2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 26167542) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID26167542
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H32N2O3/c1-2-3-4-10-19-30-23-12-7-6-11-22(23)24(28)26-21-15-13-20(14-16-21)25(29)27-17-8-5-9-18-27/h6-7,11-16H,2-5,8-10,17-19H2,1H3,(H,26,28)
InChIKeyCAVAQIZUVUSJAG-UHFFFAOYSA-N
XLogP5.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.52
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

N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide
CID 17199073
N-[4-(azepane-1-carbonyl)phenyl]-5-bromo-2-butoxybenzamide
CID 17199108
2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642652
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584
N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-pentoxybenzamide
CID 17179834
N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4942290
2-(2-ethoxyethoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26168152
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-hexoxybenzamide
CID 4942705
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide
CID 17235052
4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196372
1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250641
N-[4-(1-aminoethyl)phenyl]-2-dodecoxybenzamide
CID 139738647

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide (CID 26167542) is 2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide is CCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is CAVAQIZUVUSJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-2-3-4-10-19-30-23-12-7-6-11-22(23)24(28)26-21-15-13-20(14-16-21)25(29)27-17-8-5-9-18-27/h6-7,11-16H,2-5,8-10,17-19H2,1H3,(H,26,28).
What are the key properties of 2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 408.54 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 26167542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).