1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C31H41N3O2 — CID 130202613

IUPAC1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESC=CCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2CC1CCC1
InChIInChI=1S/C31H41N3O2/c1-4-21-32(2)31(27-11-6-5-7-12-27)19-17-30(18-20-31)24-33(22-26-13-15-28(36-3)16-14-26)29(35)34(30)23-25-9-8-10-25/h4-7,11-16,25H,1,8-10,17-24H2,2-3H3
InChIKeyQJAIUODYPSAJPR-UHFFFAOYSA-N
MW487.69 g/mol
LogP6.06
Rot. Bonds9

About 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202613) has the molecular formula C31H41N3O2 and a molecular weight of 487.69 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202613
Molecular FormulaC31H41N3O2
Molecular Weight487.69 g/mol
Exact Mass487.32
IUPAC Name1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESC=CCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2CC1CCC1
InChIInChI=1S/C31H41N3O2/c1-4-21-32(2)31(27-11-6-5-7-12-27)19-17-30(18-20-31)24-33(22-26-13-15-28(36-3)16-14-26)29(35)34(30)23-25-9-8-10-25/h4-7,11-16,25H,1,8-10,17-24H2,2-3H3
InChIKeyQJAIUODYPSAJPR-UHFFFAOYSA-N
XLogP6.06
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.69
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202613) is 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is C=CCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is QJAIUODYPSAJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O2/c1-4-21-32(2)31(27-11-6-5-7-12-27)19-17-30(18-20-31)24-33(22-26-13-15-28(36-3)16-14-26)29(35)34(30)23-25-9-8-10-25/h4-7,11-16,25H,1,8-10,17-24H2,2-3H3.
What are the key properties of 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 487.69 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).