1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide

C23H23N3O3 — CID 10293708

IUPAC1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOc1cccc(CNC(=O)c2cccc(C(=O)NCc3cccc(N)c3)c2)c1
InChIInChI=1S/C23H23N3O3/c1-29-21-10-3-6-17(12-21)15-26-23(28)19-8-4-7-18(13-19)22(27)25-14-16-5-2-9-20(24)11-16/h2-13H,14-15,24H2,1H3,(H,25,27)(H,26,28)
InChIKeyMUHDVDRIJBHMAF-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.14
Rot. Bonds7

About 1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide

1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 10293708) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID10293708
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOc1cccc(CNC(=O)c2cccc(C(=O)NCc3cccc(N)c3)c2)c1
InChIInChI=1S/C23H23N3O3/c1-29-21-10-3-6-17(12-21)15-26-23(28)19-8-4-7-18(13-19)22(27)25-14-16-5-2-9-20(24)11-16/h2-13H,14-15,24H2,1H3,(H,25,27)(H,26,28)
InChIKeyMUHDVDRIJBHMAF-UHFFFAOYSA-N
XLogP3.14
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-nitrophenyl)methyl]benzene-1,3-dicarboxamide
CID 10136847
3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
CID 119751160
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
N-[(3-methoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762651
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 134057132
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 62237337

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide (CID 10293708) is 1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide is COc1cccc(CNC(=O)c2cccc(C(=O)NCc3cccc(N)c3)c2)c1.
What is the InChIKey of 1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is MUHDVDRIJBHMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-29-21-10-3-6-17(12-21)15-26-23(28)19-8-4-7-18(13-19)22(27)25-14-16-5-2-9-20(24)11-16/h2-13H,14-15,24H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 10293708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).