2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide

C21H26N2O3 — CID 28642652

IUPAC2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C21H26N2O3/c1-3-4-5-8-15-26-19-10-7-6-9-18(19)21(25)23-17-13-11-16(12-14-17)20(24)22-2/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMAHCOFPAOIHYGN-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.26
Rot. Bonds9

About 2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide

2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide (PubChem CID 28642652) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
PubChem CID28642652
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C21H26N2O3/c1-3-4-5-8-15-26-19-10-7-6-9-18(19)21(25)23-17-13-11-16(12-14-17)20(24)22-2/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMAHCOFPAOIHYGN-UHFFFAOYSA-N
XLogP4.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide 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-[3-(methylcarbamoyl)phenyl]benzamide
CID 17233105
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide
CID 17235052
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584
N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4942290
5-bromo-2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642686
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
N-[4-(diethylamino)phenyl]-2-hexoxybenzamide
CID 4941952
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4941899
diethyl-[2-[[4-[(2-heptoxybenzoyl)amino]benzoyl]amino]ethyl]-methylazanium
CID 154676514
2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167542
diethyl-methyl-[2-[4-[(2-undecoxybenzoyl)amino]benzoyl]oxyethyl]azanium
CID 154676358

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide (CID 28642652) is 2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide is CCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)NC)cc1.
What is the InChIKey of 2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is MAHCOFPAOIHYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-4-5-8-15-26-19-10-7-6-9-18(19)21(25)23-17-13-11-16(12-14-17)20(24)22-2/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide?
2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 28642652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).