4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide

C23H21N3O5 — CID 9083669

IUPAC4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C23H21N3O5/c1-30-20-5-3-2-4-19(20)26-23(29)15-6-10-17(11-7-15)25-22(28)16-8-12-18(13-9-16)31-14-21(24)27/h2-13H,14H2,1H3,(H2,24,27)(H,25,28)(H,26,29)
InChIKeyBBANGIUVGREPNV-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.06
Rot. Bonds8

About 4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide

4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide (PubChem CID 9083669) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
PubChem CID9083669
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C23H21N3O5/c1-30-20-5-3-2-4-19(20)26-23(29)15-6-10-17(11-7-15)25-22(28)16-8-12-18(13-9-16)31-14-21(24)27/h2-13H,14H2,1H3,(H2,24,27)(H,25,28)(H,26,29)
InChIKeyBBANGIUVGREPNV-UHFFFAOYSA-N
XLogP3.06
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 9252851
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 27901919
2-ethoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522658
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 3554862
N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 30697316

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide (CID 9083669) is 4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(OCC(N)=O)cc2)cc1.
What is the InChIKey of 4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is BBANGIUVGREPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-30-20-5-3-2-4-19(20)26-23(29)15-6-10-17(11-7-15)25-22(28)16-8-12-18(13-9-16)31-14-21(24)27/h2-13H,14H2,1H3,(H2,24,27)(H,25,28)(H,26,29).
What are the key properties of 4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide?
4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 419.44 g/mol, XLogP of 3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 9083669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).