N-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide

C22H25N3O3 — CID 59626437

IUPACN-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide
SMILESN/C(CCCO)=N/C(=O)c1ccc2c3ccccc3n(C3CCOCC3)c2c1
InChIInChI=1S/C22H25N3O3/c23-21(6-3-11-26)24-22(27)15-7-8-18-17-4-1-2-5-19(17)25(20(18)14-15)16-9-12-28-13-10-16/h1-2,4-5,7-8,14,16,26H,3,6,9-13H2,(H2,23,24,27)
InChIKeyMDBOKLLVUXXCKP-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.42
Rot. Bonds5

About N-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide

N-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide (PubChem CID 59626437) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide
PubChem CID59626437
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide
SMILESN/C(CCCO)=N/C(=O)c1ccc2c3ccccc3n(C3CCOCC3)c2c1
InChIInChI=1S/C22H25N3O3/c23-21(6-3-11-26)24-22(27)15-7-8-18-17-4-1-2-5-19(17)25(20(18)14-15)16-9-12-28-13-10-16/h1-2,4-5,7-8,14,16,26H,3,6,9-13H2,(H2,23,24,27)
InChIKeyMDBOKLLVUXXCKP-UHFFFAOYSA-N
XLogP3.42
TPSA89.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide?
The IUPAC name of N-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide (CID 59626437) is N-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide.
What is the SMILES notation for N-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide?
The canonical SMILES for N-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide is N/C(CCCO)=N/C(=O)c1ccc2c3ccccc3n(C3CCOCC3)c2c1.
What is the InChIKey of N-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide?
The InChIKey is MDBOKLLVUXXCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c23-21(6-3-11-26)24-22(27)15-7-8-18-17-4-1-2-5-19(17)25(20(18)14-15)16-9-12-28-13-10-16/h1-2,4-5,7-8,14,16,26H,3,6,9-13H2,(H2,23,24,27).
What are the key properties of N-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide?
N-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide is sourced from PubChem (CID 59626437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).