2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid

C24H22N2O6 — CID 1428068

IUPAC2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid
SMILESCOc1cc(NC(=O)c2ccccc2C(=O)O)c(OC)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H22N2O6/c1-31-20-14-19(26-23(28)16-10-6-7-11-17(16)24(29)30)21(32-2)13-18(20)25-22(27)12-15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)
InChIKeyWTVDBEGNYIQEDY-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.84
Rot. Bonds8

About 2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid

2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid (PubChem CID 1428068) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid
PubChem CID1428068
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Name2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid
SMILESCOc1cc(NC(=O)c2ccccc2C(=O)O)c(OC)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H22N2O6/c1-31-20-14-19(26-23(28)16-10-6-7-11-17(16)24(29)30)21(32-2)13-18(20)25-22(27)12-15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)
InChIKeyWTVDBEGNYIQEDY-UHFFFAOYSA-N
XLogP3.84
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide
CID 1428034
2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 54761803
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride
CID 163846426
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
CID 115411059
2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 17341130
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
N-(5-formyl-2-methoxyphenyl)-2-phenylacetamide
CID 82156108
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide
CID 1249675
2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid
CID 1374341
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid (CID 1428068) is 2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid is COc1cc(NC(=O)c2ccccc2C(=O)O)c(OC)cc1NC(=O)Cc1ccccc1.
What is the InChIKey of 2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid?
The InChIKey is WTVDBEGNYIQEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6/c1-31-20-14-19(26-23(28)16-10-6-7-11-17(16)24(29)30)21(32-2)13-18(20)25-22(27)12-15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,25,27)(H,26,28)(H,29,30).
What are the key properties of 2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid?
2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid has a molecular weight of 434.45 g/mol, XLogP of 3.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 1428068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).