(5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide

C18H22N4O3 — CID 129350078

IUPAC(5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
SMILESC=CCCc1ccccc1NC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O
InChIInChI=1S/C18H22N4O3/c1-3-4-7-13-8-5-6-9-14(13)19-16(24)22-11-10-18(12-22)15(23)21(2)17(25)20-18/h3,5-6,8-9H,1,4,7,10-12H2,2H3,(H,19,24)(H,20,25)/t18-/m1/s1
InChIKeyBPBNNHZPGDYKFT-GOSISDBHSA-N
MW342.40 g/mol
LogP1.96
Rot. Bonds4

About (5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide

(5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide (PubChem CID 129350078) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
PubChem CID129350078
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
SMILESC=CCCc1ccccc1NC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O
InChIInChI=1S/C18H22N4O3/c1-3-4-7-13-8-5-6-9-14(13)19-16(24)22-11-10-18(12-22)15(23)21(2)17(25)20-18/h3,5-6,8-9H,1,4,7,10-12H2,2H3,(H,19,24)(H,20,25)/t18-/m1/s1
InChIKeyBPBNNHZPGDYKFT-GOSISDBHSA-N
XLogP1.96
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide (CID 129350078) is (5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide is C=CCCc1ccccc1NC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O.
What is the InChIKey of (5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is BPBNNHZPGDYKFT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-4-7-13-8-5-6-9-14(13)19-16(24)22-11-10-18(12-22)15(23)21(2)17(25)20-18/h3,5-6,8-9H,1,4,7,10-12H2,2H3,(H,19,24)(H,20,25)/t18-/m1/s1.
What are the key properties of (5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
(5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 129350078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).