2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide

C25H37N5O4 — CID 130200494

IUPAC2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC(N)=O)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C25H37N5O4/c1-28(2)25(19-7-4-3-5-8-19)13-11-23(12-14-25)17-29(16-21(32)27-15-20(26)31)22(33)30(23)18-24(34)9-6-10-24/h3-5,7-8,34H,6,9-18H2,1-2H3,(H2,26,31)(H,27,32)
InChIKeyJVHBDDSCDBNCGO-UHFFFAOYSA-N
MW471.60 g/mol
LogP1.01
Rot. Bonds8

About 2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide

2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide (PubChem CID 130200494) has the molecular formula C25H37N5O4 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
PubChem CID130200494
Molecular FormulaC25H37N5O4
Molecular Weight471.60 g/mol
Exact Mass471.28
IUPAC Name2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC(N)=O)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C25H37N5O4/c1-28(2)25(19-7-4-3-5-8-19)13-11-23(12-14-25)17-29(16-21(32)27-15-20(26)31)22(33)30(23)18-24(34)9-6-10-24/h3-5,7-8,34H,6,9-18H2,1-2H3,(H2,26,31)(H,27,32)
InChIKeyJVHBDDSCDBNCGO-UHFFFAOYSA-N
XLogP1.01
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide 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 2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide (CID 130200494) is 2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC(N)=O)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The InChIKey is JVHBDDSCDBNCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O4/c1-28(2)25(19-7-4-3-5-8-19)13-11-23(12-14-25)17-29(16-21(32)27-15-20(26)31)22(33)30(23)18-24(34)9-6-10-24/h3-5,7-8,34H,6,9-18H2,1-2H3,(H2,26,31)(H,27,32).
What are the key properties of 2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide has a molecular weight of 471.60 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide is sourced from PubChem (CID 130200494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).