methyl 2-[(4-pentoxybenzoyl)amino]benzoate

C20H23NO4 — CID 4935100

IUPACmethyl 2-[(4-pentoxybenzoyl)amino]benzoate
SMILESCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C20H23NO4/c1-3-4-7-14-25-16-12-10-15(11-13-16)19(22)21-18-9-6-5-8-17(18)20(23)24-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,22)
InChIKeyCFBRJEBPHXGFHW-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.29
Rot. Bonds8

About methyl 2-[(4-pentoxybenzoyl)amino]benzoate

methyl 2-[(4-pentoxybenzoyl)amino]benzoate (PubChem CID 4935100) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 2-[(4-pentoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-pentoxybenzoyl)amino]benzoate
PubChem CID4935100
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 2-[(4-pentoxybenzoyl)amino]benzoate
SMILESCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C20H23NO4/c1-3-4-7-14-25-16-12-10-15(11-13-16)19(22)21-18-9-6-5-8-17(18)20(23)24-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,22)
InChIKeyCFBRJEBPHXGFHW-UHFFFAOYSA-N
XLogP4.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4-pentoxybenzoyl)carbamothioylamino]benzoate
CID 4935744
ethyl 2-[(4-hexoxybenzoyl)amino]benzoate
CID 19170768
methyl 3-[(4-hexoxybenzoyl)amino]-2-hydroxybenzoate
CID 108768094
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4935218
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4935150
2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2463988
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-pentoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 2-[(4-pentoxybenzoyl)amino]benzoate (CID 4935100) is methyl 2-[(4-pentoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(4-pentoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-[(4-pentoxybenzoyl)amino]benzoate is CCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[(4-pentoxybenzoyl)amino]benzoate?
The InChIKey is CFBRJEBPHXGFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-4-7-14-25-16-12-10-15(11-13-16)19(22)21-18-9-6-5-8-17(18)20(23)24-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[(4-pentoxybenzoyl)amino]benzoate?
methyl 2-[(4-pentoxybenzoyl)amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-pentoxybenzoyl)amino]benzoate is sourced from PubChem (CID 4935100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).