N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide

C26H34N2O3 — CID 17199073

IUPACN-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C26H34N2O3/c1-2-3-4-11-20-31-24-13-8-7-12-23(24)25(29)27-22-16-14-21(15-17-22)26(30)28-18-9-5-6-10-19-28/h7-8,12-17H,2-6,9-11,18-20H2,1H3,(H,27,29)
InChIKeyZMQSZVOMQLKSDC-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.91
Rot. Bonds9

About N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide

N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide (PubChem CID 17199073) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide
PubChem CID17199073
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C26H34N2O3/c1-2-3-4-11-20-31-24-13-8-7-12-23(24)25(29)27-22-16-14-21(15-17-22)26(30)28-18-9-5-6-10-19-28/h7-8,12-17H,2-6,9-11,18-20H2,1H3,(H,27,29)
InChIKeyZMQSZVOMQLKSDC-UHFFFAOYSA-N
XLogP5.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167542
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 N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide (CID 17199073) is N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide is CCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide?
The InChIKey is ZMQSZVOMQLKSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-2-3-4-11-20-31-24-13-8-7-12-23(24)25(29)27-22-16-14-21(15-17-22)26(30)28-18-9-5-6-10-19-28/h7-8,12-17H,2-6,9-11,18-20H2,1H3,(H,27,29).
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide?
N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide has a molecular weight of 422.57 g/mol, XLogP of 5.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide is sourced from PubChem (CID 17199073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).