cis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C19H29N3O3 — CID 97184856

IUPACcis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@H](C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1(C)C
InChIInChI=1S/C19H29N3O3/c1-11(2)10-13-14(18(13,4)5)15(23)21-22-16(24)19(20-17(22)25)8-6-12(3)7-9-19/h10,12-14H,6-9H2,1-5H3,(H,20,25)(H,21,23)/t12?,13-,14+,19?/m0/s1
InChIKeySHJWQQNPMHVHQZ-UWCWSIQASA-N
MW347.46 g/mol
LogP2.76
Rot. Bonds3

About cis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

cis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 97184856) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is cis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID97184856
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Namecis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@H](C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1(C)C
InChIInChI=1S/C19H29N3O3/c1-11(2)10-13-14(18(13,4)5)15(23)21-22-16(24)19(20-17(22)25)8-6-12(3)7-9-19/h10,12-14H,6-9H2,1-5H3,(H,20,25)(H,21,23)/t12?,13-,14+,19?/m0/s1
InChIKeySHJWQQNPMHVHQZ-UWCWSIQASA-N
XLogP2.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.76
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'}

Analyze cis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 97184856) is cis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=C[C@H]1[C@H](C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1(C)C.
What is the InChIKey of cis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is SHJWQQNPMHVHQZ-UWCWSIQASA-N. The full InChI is InChI=1S/C19H29N3O3/c1-11(2)10-13-14(18(13,4)5)15(23)21-22-16(24)19(20-17(22)25)8-6-12(3)7-9-19/h10,12-14H,6-9H2,1-5H3,(H,20,25)(H,21,23)/t12?,13-,14+,19?/m0/s1.
What are the key properties of cis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
cis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97184856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).