3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide

C27H32N2O3 — CID 155878936

IUPAC3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide
SMILESC=CCOc1ccc(C(=O)N2CCC3(CCC3NC(=O)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C27H32N2O3/c1-2-20-32-23-11-9-22(10-12-23)26(31)29-18-16-27(17-19-29)15-14-24(27)28-25(30)13-8-21-6-4-3-5-7-21/h2-7,9-12,24H,1,8,13-20H2,(H,28,30)
InChIKeyGXTBBVGOCSMXTI-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.39
Rot. Bonds8

About 3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide

3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide (PubChem CID 155878936) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide
PubChem CID155878936
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide
SMILESC=CCOc1ccc(C(=O)N2CCC3(CCC3NC(=O)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C27H32N2O3/c1-2-20-32-23-11-9-22(10-12-23)26(31)29-18-16-27(17-19-29)15-14-24(27)28-25(30)13-8-21-6-4-3-5-7-21/h2-7,9-12,24H,1,8,13-20H2,(H,28,30)
InChIKeyGXTBBVGOCSMXTI-UHFFFAOYSA-N
XLogP4.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
CID 131691820
N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
CID 131691818
N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
CID 131691829
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-[1-(4-cyclopentyloxybenzoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692214
N-[1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46455343
4-(4-chlorophenoxy)-N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]butanamide
CID 171681147
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone
CID 131690314
1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide
CID 54794178
[4-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119546206
(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 2995586
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 103727180

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide?
The IUPAC name of 3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide (CID 155878936) is 3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide is C=CCOc1ccc(C(=O)N2CCC3(CCC3NC(=O)CCc3ccccc3)CC2)cc1.
What is the InChIKey of 3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide?
The InChIKey is GXTBBVGOCSMXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-2-20-32-23-11-9-22(10-12-23)26(31)29-18-16-27(17-19-29)15-14-24(27)28-25(30)13-8-21-6-4-3-5-7-21/h2-7,9-12,24H,1,8,13-20H2,(H,28,30).
What are the key properties of 3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide?
3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide has a molecular weight of 432.56 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide is sourced from PubChem (CID 155878936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).