1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C27H41N3O3 — CID 158020054

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCCC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C27H41N3O3/c1-28(2)27(23-11-5-4-6-12-23)16-14-26(15-17-27)21-29(20-24(31)13-8-18-33-3)25(32)30(26)19-22-9-7-10-22/h4-6,11-12,22H,7-10,13-21H2,1-3H3
InChIKeyHSKQTRAGZSRSIN-UHFFFAOYSA-N
MW455.64 g/mol
LogP4.29
Rot. Bonds10

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 158020054) has the molecular formula C27H41N3O3 and a molecular weight of 455.64 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID158020054
Molecular FormulaC27H41N3O3
Molecular Weight455.64 g/mol
Exact Mass455.31
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCCC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C27H41N3O3/c1-28(2)27(23-11-5-4-6-12-23)16-14-26(15-17-27)21-29(20-24(31)13-8-18-33-3)25(32)30(26)19-22-9-7-10-22/h4-6,11-12,22H,7-10,13-21H2,1-3H3
InChIKeyHSKQTRAGZSRSIN-UHFFFAOYSA-N
XLogP4.29
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.64
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 158020054) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COCCCC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is HSKQTRAGZSRSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O3/c1-28(2)27(23-11-5-4-6-12-23)16-14-26(15-17-27)21-29(20-24(31)13-8-18-33-3)25(32)30(26)19-22-9-7-10-22/h4-6,11-12,22H,7-10,13-21H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 455.64 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 158020054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).