1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide

C36H32N6O5 — CID 139753091

IUPAC1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide
SMILESCc1cc(C(=O)Nc2cccc(NC(=O)c3cc(O)cc(C(=O)Nc4cccc(NC(=O)c5ccc(N)c(C)c5)c4)c3)c2)ccc1N
InChIInChI=1S/C36H32N6O5/c1-20-13-22(9-11-31(20)37)33(44)39-26-5-3-7-28(18-26)41-35(46)24-15-25(17-30(43)16-24)36(47)42-29-8-4-6-27(19-29)40-34(45)23-10-12-32(38)21(2)14-23/h3-19,43H,37-38H2,1-2H3,(H,39,44)(H,40,45)(H,41,46)(H,42,47)
InChIKeyJLIDAQMSEAVSND-UHFFFAOYSA-N
MW628.69 g/mol
LogP6.18
Rot. Bonds8

About 1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide

1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide (PubChem CID 139753091) has the molecular formula C36H32N6O5 and a molecular weight of 628.69 g/mol. Its IUPAC name is 1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide
PubChem CID139753091
Molecular FormulaC36H32N6O5
Molecular Weight628.69 g/mol
Exact Mass628.24
IUPAC Name1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide
SMILESCc1cc(C(=O)Nc2cccc(NC(=O)c3cc(O)cc(C(=O)Nc4cccc(NC(=O)c5ccc(N)c(C)c5)c4)c3)c2)ccc1N
InChIInChI=1S/C36H32N6O5/c1-20-13-22(9-11-31(20)37)33(44)39-26-5-3-7-28(18-26)41-35(46)24-15-25(17-30(43)16-24)36(47)42-29-8-4-6-27(19-29)40-34(45)23-10-12-32(38)21(2)14-23/h3-19,43H,37-38H2,1-2H3,(H,39,44)(H,40,45)(H,41,46)(H,42,47)
InChIKeyJLIDAQMSEAVSND-UHFFFAOYSA-N
XLogP6.18
TPSA188.67 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500628.69
LogP ≤ 56.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(3-hydroxyphenyl)-3-methylbenzamide
CID 61167676
4-amino-N-(3-chlorophenyl)-3-methylbenzamide
CID 16785313
1-N,3-N-bis(3-amino-4-methylphenyl)-5-hydroxybenzene-1,3-dicarboxamide
CID 139753115
4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide
CID 115769554
N-(4-amino-3-bromophenyl)-3-hydroxybenzamide
CID 82861483
3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 61166318
N-(3-acetamidophenyl)-4-amino-3-fluorobenzamide
CID 62679268
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79234917
N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107703359
N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
CID 107971017
5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide
CID 15745029
N-(3-acetylphenyl)-4-hydroxy-3-methylbenzamide
CID 103955356

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide (CID 139753091) is 1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide is Cc1cc(C(=O)Nc2cccc(NC(=O)c3cc(O)cc(C(=O)Nc4cccc(NC(=O)c5ccc(N)c(C)c5)c4)c3)c2)ccc1N.
What is the InChIKey of 1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide?
The InChIKey is JLIDAQMSEAVSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N6O5/c1-20-13-22(9-11-31(20)37)33(44)39-26-5-3-7-28(18-26)41-35(46)24-15-25(17-30(43)16-24)36(47)42-29-8-4-6-27(19-29)40-34(45)23-10-12-32(38)21(2)14-23/h3-19,43H,37-38H2,1-2H3,(H,39,44)(H,40,45)(H,41,46)(H,42,47).
What are the key properties of 1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide?
1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide has a molecular weight of 628.69 g/mol, XLogP of 6.18, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 139753091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).