3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide

C19H22N6O3 — CID 71706017

IUPAC3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide
SMILESCn1nnc(-c2cccc(NC(=O)CCN3C(=O)CC4(CCCC4)C3=O)c2)n1
InChIInChI=1S/C19H22N6O3/c1-24-22-17(21-23-24)13-5-4-6-14(11-13)20-15(26)7-10-25-16(27)12-19(18(25)28)8-2-3-9-19/h4-6,11H,2-3,7-10,12H2,1H3,(H,20,26)
InChIKeyPDWGJVWCEFIHFS-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.52
Rot. Bonds5

About 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide

3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide (PubChem CID 71706017) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide
PubChem CID71706017
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide
SMILESCn1nnc(-c2cccc(NC(=O)CCN3C(=O)CC4(CCCC4)C3=O)c2)n1
InChIInChI=1S/C19H22N6O3/c1-24-22-17(21-23-24)13-5-4-6-14(11-13)20-15(26)7-10-25-16(27)12-19(18(25)28)8-2-3-9-19/h4-6,11H,2-3,7-10,12H2,1H3,(H,20,26)
InChIKeyPDWGJVWCEFIHFS-UHFFFAOYSA-N
XLogP1.52
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-(2-methyltetrazol-5-yl)anilino]-3-oxopropyl]-3-oxo-1H-isoindole-5-carboxylic acid
CID 176902231
3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide
CID 18092490
3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide
CID 71827835
3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide
CID 17446914
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(9H-fluoren-2-yl)propanamide
CID 26783736
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 46653682
3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide
CID 46613463
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 32983881
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide
CID 18192866
4-methoxy-N-[3-(2-methyltetrazol-5-yl)phenyl]piperidine-1-carboxamide
CID 118764405
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)phenyl]propanamide
CID 46969922
methyl 1-(2-hydroxyethyl)-4-[3-(2-methyltetrazol-5-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168561043

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide (CID 71706017) is 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide is Cn1nnc(-c2cccc(NC(=O)CCN3C(=O)CC4(CCCC4)C3=O)c2)n1.
What is the InChIKey of 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide?
The InChIKey is PDWGJVWCEFIHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-24-22-17(21-23-24)13-5-4-6-14(11-13)20-15(26)7-10-25-16(27)12-19(18(25)28)8-2-3-9-19/h4-6,11H,2-3,7-10,12H2,1H3,(H,20,26).
What are the key properties of 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide?
3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide has a molecular weight of 382.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 71706017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).