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

C20H23NO4 — CID 4946584

IUPACmethyl 4-[(2-pentoxybenzoyl)amino]benzoate
SMILESCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H23NO4/c1-3-4-7-14-25-18-9-6-5-8-17(18)19(22)21-16-12-10-15(11-13-16)20(23)24-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,22)
InChIKeyVEYBOMIBPWLRHL-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.29
Rot. Bonds8

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

methyl 4-[(2-pentoxybenzoyl)amino]benzoate (PubChem CID 4946584) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 4-[(2-pentoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-pentoxybenzoyl)amino]benzoate
PubChem CID4946584
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 4-[(2-pentoxybenzoyl)amino]benzoate
SMILESCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H23NO4/c1-3-4-7-14-25-18-9-6-5-8-17(18)19(22)21-16-12-10-15(11-13-16)20(23)24-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,22)
InChIKeyVEYBOMIBPWLRHL-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

2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642652
methyl 4-[(2-butoxybenzoyl)carbamothioylamino]benzoate
CID 4941481
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide
CID 17235052
diethyl-methyl-[2-[4-[(2-undecoxybenzoyl)amino]benzoyl]oxyethyl]azanium
CID 154676358
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
diethyl-[2-[4-[(2-hexoxybenzoyl)amino]benzoyl]oxyethyl]-methylazanium;methanol
CID 154676436
diethyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]-pentylazanium
CID 154676643
diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium;methane;bromide
CID 159004391
diethyl-[2-[4-[(2-heptoxybenzoyl)amino]benzoyl]oxyethyl]-pentylazanium
CID 154676452
diethyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]-undecylazanium bromide
CID 154676619
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4942290

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-pentoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-pentoxybenzoyl)amino]benzoate (CID 4946584) is methyl 4-[(2-pentoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-pentoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-pentoxybenzoyl)amino]benzoate is CCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(2-pentoxybenzoyl)amino]benzoate?
The InChIKey is VEYBOMIBPWLRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-4-7-14-25-18-9-6-5-8-17(18)19(22)21-16-12-10-15(11-13-16)20(23)24-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,22).
What are the key properties of methyl 4-[(2-pentoxybenzoyl)amino]benzoate?
methyl 4-[(2-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 4-[(2-pentoxybenzoyl)amino]benzoate is sourced from PubChem (CID 4946584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).