2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

C26H27N3O4 — CID 125427756

IUPAC2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCOc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@@H]1CCCc3c1[nH]c1ccccc31)C=C2
InChIInChI=1S/C26H27N3O4/c1-32-22-12-16-10-11-29(25(31)14-17(16)13-23(22)33-2)15-24(30)27-21-9-5-7-19-18-6-3-4-8-20(18)28-26(19)21/h3-4,6,8,10-13,21,28H,5,7,9,14-15H2,1-2H3,(H,27,30)/t21-/m1/s1
InChIKeyFUIOUNLGTBJHJW-OAQYLSRUSA-N
MW445.52 g/mol
LogP3.73
Rot. Bonds5

About 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (PubChem CID 125427756) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.

Molecular Properties

Compound Name2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
PubChem CID125427756
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCOc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@@H]1CCCc3c1[nH]c1ccccc31)C=C2
InChIInChI=1S/C26H27N3O4/c1-32-22-12-16-10-11-29(25(31)14-17(16)13-23(22)33-2)15-24(30)27-21-9-5-7-19-18-6-3-4-8-20(18)28-26(19)21/h3-4,6,8,10-13,21,28H,5,7,9,14-15H2,1-2H3,(H,27,30)/t21-/m1/s1
InChIKeyFUIOUNLGTBJHJW-OAQYLSRUSA-N
XLogP3.73
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97496764
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
7,8-dimethoxy-3-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-3-benzazepin-2-one
CID 97488818
4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
CID 121239141
2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 97488182
2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 71825462
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 128962659
2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97497081
methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
CID 65333695
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 125122187

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The IUPAC name of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (CID 125427756) is 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.
What is the SMILES notation for 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The canonical SMILES for 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@@H]1CCCc3c1[nH]c1ccccc31)C=C2.
What is the InChIKey of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The InChIKey is FUIOUNLGTBJHJW-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-32-22-12-16-10-11-29(25(31)14-17(16)13-23(22)33-2)15-24(30)27-21-9-5-7-19-18-6-3-4-8-20(18)28-26(19)21/h3-4,6,8,10-13,21,28H,5,7,9,14-15H2,1-2H3,(H,27,30)/t21-/m1/s1.
What are the key properties of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide has a molecular weight of 445.52 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is sourced from PubChem (CID 125427756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).