N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide

C17H21N5O4 — CID 77094231

IUPACN-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide
SMILESO=C(NC1CCOC2(CCOCC2)C1)c1ccc(-n2cnnn2)cc1O
InChIInChI=1S/C17H21N5O4/c23-15-9-13(22-11-18-20-21-22)1-2-14(15)16(24)19-12-3-6-26-17(10-12)4-7-25-8-5-17/h1-2,9,11-12,23H,3-8,10H2,(H,19,24)
InChIKeyZMNCMQLPFVMOPR-UHFFFAOYSA-N
MW359.39 g/mol
LogP0.83
Rot. Bonds3

About N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide (PubChem CID 77094231) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide
PubChem CID77094231
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide
SMILESO=C(NC1CCOC2(CCOCC2)C1)c1ccc(-n2cnnn2)cc1O
InChIInChI=1S/C17H21N5O4/c23-15-9-13(22-11-18-20-21-22)1-2-14(15)16(24)19-12-3-6-26-17(10-12)4-7-25-8-5-17/h1-2,9,11-12,23H,3-8,10H2,(H,19,24)
InChIKeyZMNCMQLPFVMOPR-UHFFFAOYSA-N
XLogP0.83
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide (CID 77094231) is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide is O=C(NC1CCOC2(CCOCC2)C1)c1ccc(-n2cnnn2)cc1O.
What is the InChIKey of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide?
The InChIKey is ZMNCMQLPFVMOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c23-15-9-13(22-11-18-20-21-22)1-2-14(15)16(24)19-12-3-6-26-17(10-12)4-7-25-8-5-17/h1-2,9,11-12,23H,3-8,10H2,(H,19,24).
What are the key properties of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide?
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide has a molecular weight of 359.39 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 77094231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).