butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate

C22H27NO5 — CID 100534622

IUPACbutyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)cc1
InChIInChI=1S/C22H27NO5/c1-4-7-14-28-22(25)16-8-11-18(12-9-16)23-21(24)17-10-13-19(26-5-2)20(15-17)27-6-3/h8-13,15H,4-7,14H2,1-3H3,(H,23,24)
InChIKeyOSXCQADKKFQQFI-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.69
Rot. Bonds10

About butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate

butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate (PubChem CID 100534622) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
PubChem CID100534622
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Namebutyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)cc1
InChIInChI=1S/C22H27NO5/c1-4-7-14-28-22(25)16-8-11-18(12-9-16)23-21(24)17-10-13-19(26-5-2)20(15-17)27-6-3/h8-13,15H,4-7,14H2,1-3H3,(H,23,24)
InChIKeyOSXCQADKKFQQFI-UHFFFAOYSA-N
XLogP4.69
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate
CID 44871422
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
pentyl 4-[[(E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19236800
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
butyl 4-[(4-iodobenzoyl)amino]benzoate
CID 2164958
propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate
CID 26199007
4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide
CID 30272395
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 16556641
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate?
The IUPAC name of butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate (CID 100534622) is butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate.
What is the SMILES notation for butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate?
The canonical SMILES for butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)cc1.
What is the InChIKey of butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate?
The InChIKey is OSXCQADKKFQQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-4-7-14-28-22(25)16-8-11-18(12-9-16)23-21(24)17-10-13-19(26-5-2)20(15-17)27-6-3/h8-13,15H,4-7,14H2,1-3H3,(H,23,24).
What are the key properties of butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate?
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate has a molecular weight of 385.46 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 100534622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).