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

C20H22N2O4 — CID 109048429

IUPACmethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-4-22(5-2)19(24)15-8-6-14(7-9-15)18(23)21-17-12-10-16(11-13-17)20(25)26-3/h6-13H,4-5H2,1-3H3,(H,21,23)
InChIKeyMFUXBHPMQNKIQB-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.21
Rot. Bonds6

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

methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate (PubChem CID 109048429) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
PubChem CID109048429
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namemethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-4-22(5-2)19(24)15-8-6-14(7-9-15)18(23)21-17-12-10-16(11-13-17)20(25)26-3/h6-13H,4-5H2,1-3H3,(H,21,23)
InChIKeyMFUXBHPMQNKIQB-UHFFFAOYSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109049092
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
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
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 40512293
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473
4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
CID 24617722
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate (CID 109048429) is methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate is CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate?
The InChIKey is MFUXBHPMQNKIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-22(5-2)19(24)15-8-6-14(7-9-15)18(23)21-17-12-10-16(11-13-17)20(25)26-3/h6-13H,4-5H2,1-3H3,(H,21,23).
What are the key properties of methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate?
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 109048429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).