4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide

C19H18N2O3 — CID 155546486

IUPAC4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2c3c(c4ccccc42)COCC3)cc1
InChIInChI=1S/C19H18N2O3/c22-19(20-23)14-7-5-13(6-8-14)11-21-17-4-2-1-3-15(17)16-12-24-10-9-18(16)21/h1-8,23H,9-12H2,(H,20,22)
InChIKeyPLXSOPIGQFDAJE-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.88
Rot. Bonds3

About 4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide

4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide (PubChem CID 155546486) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide
PubChem CID155546486
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2c3c(c4ccccc42)COCC3)cc1
InChIInChI=1S/C19H18N2O3/c22-19(20-23)14-7-5-13(6-8-14)11-21-17-4-2-1-3-15(17)16-12-24-10-9-18(16)21/h1-8,23H,9-12H2,(H,20,22)
InChIKeyPLXSOPIGQFDAJE-UHFFFAOYSA-N
XLogP2.88
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide?
The IUPAC name of 4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide (CID 155546486) is 4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide.
What is the SMILES notation for 4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide?
The canonical SMILES for 4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide is O=C(NO)c1ccc(Cn2c3c(c4ccccc42)COCC3)cc1.
What is the InChIKey of 4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide?
The InChIKey is PLXSOPIGQFDAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-19(20-23)14-7-5-13(6-8-14)11-21-17-4-2-1-3-15(17)16-12-24-10-9-18(16)21/h1-8,23H,9-12H2,(H,20,22).
What are the key properties of 4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide?
4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide has a molecular weight of 322.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-pyrano[4,3-b]indol-5-ylmethyl)-N-hydroxybenzamide is sourced from PubChem (CID 155546486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).