2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide

C25H38N4O3 — CID 130200634

IUPAC2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CC2)C1=O
InChIInChI=1S/C25H38N4O3/c1-26(2)25(21-7-5-4-6-8-21)13-11-24(12-14-25)19-28(18-22(31)27(3)15-16-30)23(32)29(24)17-20-9-10-20/h4-8,20,30H,9-19H2,1-3H3
InChIKeyJCEVVCLYMOZIPB-UHFFFAOYSA-N
MW442.60 g/mol
LogP2.35
Rot. Bonds8

About 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide

2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 130200634) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID130200634
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Name2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CC2)C1=O
InChIInChI=1S/C25H38N4O3/c1-26(2)25(21-7-5-4-6-8-21)13-11-24(12-14-25)19-28(18-22(31)27(3)15-16-30)23(32)29(24)17-20-9-10-20/h4-8,20,30H,9-19H2,1-3H3
InChIKeyJCEVVCLYMOZIPB-UHFFFAOYSA-N
XLogP2.35
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1352
CID 130200707
US10807989, Example SC_1349
CID 130200783
US10807989, Example SC_1359
CID 130200636
US10807989, Example SC_1360
CID 130200637
US10807989, Example SC_1356
CID 130200704
US10793528, Example SC_5083
CID 130200861
US10793528, Example SC_5084
CID 130201060
US10807989, Example SC_1122
CID 130200450
US10807989, Example SC_1177
CID 130200460
US10807989, Example SC_1343
CID 130200461
CIS-2-[[2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-acetyl]amino]-N,N-dimethyl-acetamide
CID 130200462

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide (CID 130200634) is 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide is CN(CCO)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CC2)C1=O.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is JCEVVCLYMOZIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-26(2)25(21-7-5-4-6-8-21)13-11-24(12-14-25)19-28(18-22(31)27(3)15-16-30)23(32)29(24)17-20-9-10-20/h4-8,20,30H,9-19H2,1-3H3.
What are the key properties of 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 442.60 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 130200634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).