3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide

C24H29N3O3 — CID 67152075

IUPAC3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cccc(C2CC3CCC(C2)N3CCCNC(=O)c2ccccc2)c1O
InChIInChI=1S/C24H29N3O3/c25-23(29)21-9-4-8-20(22(21)28)17-14-18-10-11-19(15-17)27(18)13-5-12-26-24(30)16-6-2-1-3-7-16/h1-4,6-9,17-19,28H,5,10-15H2,(H2,25,29)(H,26,30)
InChIKeyHYQMQMHLWQYJFQ-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.02
Rot. Bonds7

About 3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide

3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide (PubChem CID 67152075) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide
PubChem CID67152075
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cccc(C2CC3CCC(C2)N3CCCNC(=O)c2ccccc2)c1O
InChIInChI=1S/C24H29N3O3/c25-23(29)21-9-4-8-20(22(21)28)17-14-18-10-11-19(15-17)27(18)13-5-12-26-24(30)16-6-2-1-3-7-16/h1-4,6-9,17-19,28H,5,10-15H2,(H2,25,29)(H,26,30)
InChIKeyHYQMQMHLWQYJFQ-UHFFFAOYSA-N
XLogP3.02
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide?
The IUPAC name of 3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide (CID 67152075) is 3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide.
What is the SMILES notation for 3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide?
The canonical SMILES for 3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide is NC(=O)c1cccc(C2CC3CCC(C2)N3CCCNC(=O)c2ccccc2)c1O.
What is the InChIKey of 3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide?
The InChIKey is HYQMQMHLWQYJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c25-23(29)21-9-4-8-20(22(21)28)17-14-18-10-11-19(15-17)27(18)13-5-12-26-24(30)16-6-2-1-3-7-16/h1-4,6-9,17-19,28H,5,10-15H2,(H2,25,29)(H,26,30).
What are the key properties of 3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide?
3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide has a molecular weight of 407.51 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide is sourced from PubChem (CID 67152075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).