N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C17H19N3O2 — CID 69221292

IUPACN-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCCCc3cc(O)ccc32)cc1
InChIInChI=1S/C17H19N3O2/c18-13-4-6-14(7-5-13)19-17(22)20-10-2-1-3-12-11-15(21)8-9-16(12)20/h4-9,11,21H,1-3,10,18H2,(H,19,22)
InChIKeyQDIVHJDHNIKIFV-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.35
Rot. Bonds1

About N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 69221292) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID69221292
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCCCc3cc(O)ccc32)cc1
InChIInChI=1S/C17H19N3O2/c18-13-4-6-14(7-5-13)19-17(22)20-10-2-1-3-12-11-15(21)8-9-16(12)20/h4-9,11,21H,1-3,10,18H2,(H,19,22)
InChIKeyQDIVHJDHNIKIFV-UHFFFAOYSA-N
XLogP3.35
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 69221292) is N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is Nc1ccc(NC(=O)N2CCCCc3cc(O)ccc32)cc1.
What is the InChIKey of N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is QDIVHJDHNIKIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-13-4-6-14(7-5-13)19-17(22)20-10-2-1-3-12-11-15(21)8-9-16(12)20/h4-9,11,21H,1-3,10,18H2,(H,19,22).
What are the key properties of N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 69221292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).