N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide

C22H28N2O3 — CID 4933761

IUPACN-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC)cc1
InChIInChI=1S/C22H28N2O3/c1-3-5-6-9-16-27-18-14-12-17(13-15-18)21(25)24-20-11-8-7-10-19(20)22(26)23-4-2/h7-8,10-15H,3-6,9,16H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyDXMWUWLXPTZZEY-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.65
Rot. Bonds10

About N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide

N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide (PubChem CID 4933761) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
PubChem CID4933761
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC)cc1
InChIInChI=1S/C22H28N2O3/c1-3-5-6-9-16-27-18-14-12-17(13-15-18)21(25)24-20-11-8-7-10-19(20)22(26)23-4-2/h7-8,10-15H,3-6,9,16H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyDXMWUWLXPTZZEY-UHFFFAOYSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4935218
methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100
2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide
CID 4956581
ethyl 2-[(4-hexoxybenzoyl)amino]benzoate
CID 19170768
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656
2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4950696
2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2463988
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
2-[(4-hexoxybenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide
CID 17351308

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide?
The IUPAC name of N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide (CID 4933761) is N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide?
The canonical SMILES for N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide is CCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC)cc1.
What is the InChIKey of N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide?
The InChIKey is DXMWUWLXPTZZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-5-6-9-16-27-18-14-12-17(13-15-18)21(25)24-20-11-8-7-10-19(20)22(26)23-4-2/h7-8,10-15H,3-6,9,16H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide?
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide is sourced from PubChem (CID 4933761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).