ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate

C21H24N2O4 — CID 109048450

IUPACethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-4-23(5-2)20(25)16-9-7-15(8-10-16)19(24)22-18-13-11-17(12-14-18)21(26)27-6-3/h7-14H,4-6H2,1-3H3,(H,22,24)
InChIKeyAYEHSJJMXVRCCZ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.60
Rot. Bonds7

About ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate

ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate (PubChem CID 109048450) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
PubChem CID109048450
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nameethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-4-23(5-2)20(25)16-9-7-15(8-10-16)19(24)22-18-13-11-17(12-14-18)21(26)27-6-3/h7-14H,4-6H2,1-3H3,(H,22,24)
InChIKeyAYEHSJJMXVRCCZ-UHFFFAOYSA-N
XLogP3.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390
ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate
CID 16746613
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7957923
4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 40512293
methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109049092
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777347

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate (CID 109048450) is ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate?
The InChIKey is AYEHSJJMXVRCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-23(5-2)20(25)16-9-7-15(8-10-16)19(24)22-18-13-11-17(12-14-18)21(26)27-6-3/h7-14H,4-6H2,1-3H3,(H,22,24).
What are the key properties of ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate?
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate has a molecular weight of 368.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 109048450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).