1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C22H32IN3O — CID 155183064

IUPAC1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCN(C)C1(c2ccccc2)CCC2(CC1)CN(I)C(=O)N2CC1CCC1
InChIInChI=1S/C22H32IN3O/c1-3-24(2)22(19-10-5-4-6-11-19)14-12-21(13-15-22)17-26(23)20(27)25(21)16-18-8-7-9-18/h4-6,10-11,18H,3,7-9,12-17H2,1-2H3
InChIKeyKBDIDHFBQWPDGB-UHFFFAOYSA-N
MW481.42 g/mol
LogP5.03
Rot. Bonds5

About 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 155183064) has the molecular formula C22H32IN3O and a molecular weight of 481.42 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID155183064
Molecular FormulaC22H32IN3O
Molecular Weight481.42 g/mol
Exact Mass481.16
IUPAC Name1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCN(C)C1(c2ccccc2)CCC2(CC1)CN(I)C(=O)N2CC1CCC1
InChIInChI=1S/C22H32IN3O/c1-3-24(2)22(19-10-5-4-6-11-19)14-12-21(13-15-22)17-26(23)20(27)25(21)16-18-8-7-9-18/h4-6,10-11,18H,3,7-9,12-17H2,1-2H3
InChIKeyKBDIDHFBQWPDGB-UHFFFAOYSA-N
XLogP5.03
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130244224
1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 130202422
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130220323
1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202613
5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile
CID 157213807
3-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
CID 166647377
1-(cyclobutylmethyl)-3-[3-(3,4-dihydroxypyrrolidin-1-yl)-3-oxopropyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201035
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 130200593
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 130200463
1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
CID 157220490
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 130200641
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 158020054

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 155183064) is 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CCN(C)C1(c2ccccc2)CCC2(CC1)CN(I)C(=O)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is KBDIDHFBQWPDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32IN3O/c1-3-24(2)22(19-10-5-4-6-11-19)14-12-21(13-15-22)17-26(23)20(27)25(21)16-18-8-7-9-18/h4-6,10-11,18H,3,7-9,12-17H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 481.42 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155183064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).