(5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide

C20H29N3O — CID 97481852

IUPAC(5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide
SMILESC=CCN1CCC[C@@]12CCCN(C(=O)Nc1cccc(CC)c1)C2
InChIInChI=1S/C20H29N3O/c1-3-12-23-14-7-11-20(23)10-6-13-22(16-20)19(24)21-18-9-5-8-17(4-2)15-18/h3,5,8-9,15H,1,4,6-7,10-14,16H2,2H3,(H,21,24)/t20-/m1/s1
InChIKeyIGSMCENGVAEUHZ-HXUWFJFHSA-N
MW327.47 g/mol
LogP3.90
Rot. Bonds4

About (5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide

(5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide (PubChem CID 97481852) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is (5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide
PubChem CID97481852
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name(5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide
SMILESC=CCN1CCC[C@@]12CCCN(C(=O)Nc1cccc(CC)c1)C2
InChIInChI=1S/C20H29N3O/c1-3-12-23-14-7-11-20(23)10-6-13-22(16-20)19(24)21-18-9-5-8-17(4-2)15-18/h3,5,8-9,15H,1,4,6-7,10-14,16H2,2H3,(H,21,24)/t20-/m1/s1
InChIKeyIGSMCENGVAEUHZ-HXUWFJFHSA-N
XLogP3.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-methoxyphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide
CID 131661531
1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide
CID 134070879
(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone
CID 131648719
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide
CID 134070803
[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone
CID 97481759
1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone
CID 97393443
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51664598
1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide
CID 126815827
N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide
CID 79151936

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide (CID 97481852) is (5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide is C=CCN1CCC[C@@]12CCCN(C(=O)Nc1cccc(CC)c1)C2.
What is the InChIKey of (5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide?
The InChIKey is IGSMCENGVAEUHZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H29N3O/c1-3-12-23-14-7-11-20(23)10-6-13-22(16-20)19(24)21-18-9-5-8-17(4-2)15-18/h3,5,8-9,15H,1,4,6-7,10-14,16H2,2H3,(H,21,24)/t20-/m1/s1.
What are the key properties of (5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide?
(5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 97481852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).