N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C20H27N3O3 — CID 156776164

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESO=C(CCCCCCNC(=O)C1CCc2[nH]c3ccccc3c2C1)NO
InChIInChI=1S/C20H27N3O3/c24-19(23-26)9-3-1-2-6-12-21-20(25)14-10-11-18-16(13-14)15-7-4-5-8-17(15)22-18/h4-5,7-8,14,22,26H,1-3,6,9-13H2,(H,21,25)(H,23,24)
InChIKeyKUNYNRDSUWDMBR-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.84
Rot. Bonds8

About N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 156776164) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID156776164
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESO=C(CCCCCCNC(=O)C1CCc2[nH]c3ccccc3c2C1)NO
InChIInChI=1S/C20H27N3O3/c24-19(23-26)9-3-1-2-6-12-21-20(25)14-10-11-18-16(13-14)15-7-4-5-8-17(15)22-18/h4-5,7-8,14,22,26H,1-3,6,9-13H2,(H,21,25)(H,23,24)
InChIKeyKUNYNRDSUWDMBR-UHFFFAOYSA-N
XLogP2.84
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 156776164) is N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is O=C(CCCCCCNC(=O)C1CCc2[nH]c3ccccc3c2C1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is KUNYNRDSUWDMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-19(23-26)9-3-1-2-6-12-21-20(25)14-10-11-18-16(13-14)15-7-4-5-8-17(15)22-18/h4-5,7-8,14,22,26H,1-3,6,9-13H2,(H,21,25)(H,23,24).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.84, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 156776164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).