4-[(3,5-dimethoxybenzoyl)amino]benzoate

C16H14NO5- — CID 3699347

IUPAC4-[(3,5-dimethoxybenzoyl)amino]benzoate
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1
InChIInChI=1S/C16H15NO5/c1-21-13-7-11(8-14(9-13)22-2)15(18)17-12-5-3-10(4-6-12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)/p-1
InChIKeyJATNUSRFNLGCIJ-UHFFFAOYSA-M
MW300.29 g/mol
LogP1.32
Rot. Bonds5

About 4-[(3,5-dimethoxybenzoyl)amino]benzoate

4-[(3,5-dimethoxybenzoyl)amino]benzoate (PubChem CID 3699347) has the molecular formula C16H14NO5- and a molecular weight of 300.29 g/mol. Its IUPAC name is 4-[(3,5-dimethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Name4-[(3,5-dimethoxybenzoyl)amino]benzoate
PubChem CID3699347
Molecular FormulaC16H14NO5-
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name4-[(3,5-dimethoxybenzoyl)amino]benzoate
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1
InChIInChI=1S/C16H15NO5/c1-21-13-7-11(8-14(9-13)22-2)15(18)17-12-5-3-10(4-6-12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)/p-1
InChIKeyJATNUSRFNLGCIJ-UHFFFAOYSA-M
XLogP1.32
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate
CID 4077385
N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide
CID 112988213
trisodium;4-[[3,5-bis[(4-carboxylatophenyl)carbamoyl]benzoyl]amino]benzoate
CID 144812184
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
CID 43822825
N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide
CID 2671265
4-(carbamoylamino)-N-(3,5-dimethoxyphenyl)benzamide
CID 4786525
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
lithium 3,5-dimethoxybenzoate
CID 19205782
N-(3-amino-4-methylphenyl)-3,5-dimethoxybenzamide
CID 24709261
N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide
CID 112984993
3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985952

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxybenzoyl)amino]benzoate?
The IUPAC name of 4-[(3,5-dimethoxybenzoyl)amino]benzoate (CID 3699347) is 4-[(3,5-dimethoxybenzoyl)amino]benzoate.
What is the SMILES notation for 4-[(3,5-dimethoxybenzoyl)amino]benzoate?
The canonical SMILES for 4-[(3,5-dimethoxybenzoyl)amino]benzoate is COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1.
What is the InChIKey of 4-[(3,5-dimethoxybenzoyl)amino]benzoate?
The InChIKey is JATNUSRFNLGCIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15NO5/c1-21-13-7-11(8-14(9-13)22-2)15(18)17-12-5-3-10(4-6-12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)/p-1.
What are the key properties of 4-[(3,5-dimethoxybenzoyl)amino]benzoate?
4-[(3,5-dimethoxybenzoyl)amino]benzoate has a molecular weight of 300.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 3699347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).