2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide

C26H32N4O2 — CID 122510297

IUPAC2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2N=C(N)C1
InChIInChI=1S/C26H32N4O2/c1-5-9-30(10-6-2)26(32)21-14-19-7-8-20(15-23(19)29-24(27)16-21)25(31)28-22-12-17(3)11-18(4)13-22/h7-8,11-15H,5-6,9-10,16H2,1-4H3,(H2,27,29)(H,28,31)
InChIKeyAHZOZHRYHPZHQX-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.98
Rot. Bonds7

About 2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide

2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide (PubChem CID 122510297) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide.

Molecular Properties

Compound Name2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
PubChem CID122510297
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2N=C(N)C1
InChIInChI=1S/C26H32N4O2/c1-5-9-30(10-6-2)26(32)21-14-19-7-8-20(15-23(19)29-24(27)16-21)25(31)28-22-12-17(3)11-18(4)13-22/h7-8,11-15H,5-6,9-10,16H2,1-4H3,(H2,27,29)(H,28,31)
InChIKeyAHZOZHRYHPZHQX-UHFFFAOYSA-N
XLogP4.98
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide?
The IUPAC name of 2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide (CID 122510297) is 2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide.
What is the SMILES notation for 2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide?
The canonical SMILES for 2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide is CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2N=C(N)C1.
What is the InChIKey of 2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide?
The InChIKey is AHZOZHRYHPZHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-5-9-30(10-6-2)26(32)21-14-19-7-8-20(15-23(19)29-24(27)16-21)25(31)28-22-12-17(3)11-18(4)13-22/h7-8,11-15H,5-6,9-10,16H2,1-4H3,(H2,27,29)(H,28,31).
What are the key properties of 2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide?
2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide has a molecular weight of 432.57 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-N-(3,5-dimethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide is sourced from PubChem (CID 122510297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).