ethyl 2-[(4-hexoxybenzoyl)amino]benzoate

C22H27NO4 — CID 19170768

IUPACethyl 2-[(4-hexoxybenzoyl)amino]benzoate
SMILESCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)OCC)cc1
InChIInChI=1S/C22H27NO4/c1-3-5-6-9-16-27-18-14-12-17(13-15-18)21(24)23-20-11-8-7-10-19(20)22(25)26-4-2/h7-8,10-15H,3-6,9,16H2,1-2H3,(H,23,24)
InChIKeyDQEYHUCPWKMAEQ-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.07
Rot. Bonds10

About ethyl 2-[(4-hexoxybenzoyl)amino]benzoate

ethyl 2-[(4-hexoxybenzoyl)amino]benzoate (PubChem CID 19170768) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethyl 2-[(4-hexoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(4-hexoxybenzoyl)amino]benzoate
PubChem CID19170768
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Nameethyl 2-[(4-hexoxybenzoyl)amino]benzoate
SMILESCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)OCC)cc1
InChIInChI=1S/C22H27NO4/c1-3-5-6-9-16-27-18-14-12-17(13-15-18)21(24)23-20-11-8-7-10-19(20)22(25)26-4-2/h7-8,10-15H,3-6,9,16H2,1-2H3,(H,23,24)
InChIKeyDQEYHUCPWKMAEQ-UHFFFAOYSA-N
XLogP5.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[(4-hexoxybenzoyl)amino]benzoate 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

methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
ethyl 2-[[4-(2-phenylsulfanylethoxy)benzoyl]amino]benzoate
CID 92675667
2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4935218
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
methyl 3-[(4-hexoxybenzoyl)amino]-2-hydroxybenzoate
CID 108768094
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
methyl 2-[(4-pentoxybenzoyl)carbamothioylamino]benzoate
CID 4935744
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-hexoxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 2-[(4-hexoxybenzoyl)amino]benzoate (CID 19170768) is ethyl 2-[(4-hexoxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(4-hexoxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(4-hexoxybenzoyl)amino]benzoate is CCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[(4-hexoxybenzoyl)amino]benzoate?
The InChIKey is DQEYHUCPWKMAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-3-5-6-9-16-27-18-14-12-17(13-15-18)21(24)23-20-11-8-7-10-19(20)22(25)26-4-2/h7-8,10-15H,3-6,9,16H2,1-2H3,(H,23,24).
What are the key properties of ethyl 2-[(4-hexoxybenzoyl)amino]benzoate?
ethyl 2-[(4-hexoxybenzoyl)amino]benzoate has a molecular weight of 369.46 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-hexoxybenzoyl)amino]benzoate is sourced from PubChem (CID 19170768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).