N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide

C20H27N3O2 — CID 134070535

IUPACN-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESC=CCN1C(=O)CCCC12CCCN(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C20H27N3O2/c1-2-13-23-18(24)10-6-11-20(23)12-7-14-22(16-20)19(25)21-15-17-8-4-3-5-9-17/h2-5,8-9H,1,6-7,10-16H2,(H,21,25)
InChIKeyPOIUBDZYJZKRNF-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.93
Rot. Bonds4

About N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide

N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 134070535) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID134070535
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESC=CCN1C(=O)CCCC12CCCN(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C20H27N3O2/c1-2-13-23-18(24)10-6-11-20(23)12-7-14-22(16-20)19(25)21-15-17-8-4-3-5-9-17/h2-5,8-9H,1,6-7,10-16H2,(H,21,25)
InChIKeyPOIUBDZYJZKRNF-UHFFFAOYSA-N
XLogP2.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6S)-8-(3-phenylpropanoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495559
N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 131661655
8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131644825
(6R)-8-[2-(4-methoxyphenyl)acetyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97398658
8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 134070533
(6R)-8-(3-methoxybenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495563
N-benzylazonane-1-carboxamide
CID 130689649
(6S)-8-(5-methylpyrazine-2-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97398639
(6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495568
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
8-(1H-indole-5-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131655985

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide (CID 134070535) is N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide is C=CCN1C(=O)CCCC12CCCN(C(=O)NCc1ccccc1)C2.
What is the InChIKey of N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is POIUBDZYJZKRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-2-13-23-18(24)10-6-11-20(23)12-7-14-22(16-20)19(25)21-15-17-8-4-3-5-9-17/h2-5,8-9H,1,6-7,10-16H2,(H,21,25).
What are the key properties of N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide?
N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 134070535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).