3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide

C25H38N4O4 — CID 130201177

IUPAC3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CCC(=O)NCCO)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C25H38N4O4/c1-26-25(20-6-3-2-4-7-20)13-11-23(12-14-25)18-28(16-8-21(31)27-15-17-30)22(32)29(23)19-24(33)9-5-10-24/h2-4,6-7,26,30,33H,5,8-19H2,1H3,(H,27,31)
InChIKeyBLXBEVLVKISWJI-UHFFFAOYSA-N
MW458.60 g/mol
LogP1.57
Rot. Bonds9

About 3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide

3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide (PubChem CID 130201177) has the molecular formula C25H38N4O4 and a molecular weight of 458.60 g/mol. Its IUPAC name is 3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide
PubChem CID130201177
Molecular FormulaC25H38N4O4
Molecular Weight458.60 g/mol
Exact Mass458.29
IUPAC Name3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CCC(=O)NCCO)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C25H38N4O4/c1-26-25(20-6-3-2-4-7-20)13-11-23(12-14-25)18-28(16-8-21(31)27-15-17-30)22(32)29(23)19-24(33)9-5-10-24/h2-4,6-7,26,30,33H,5,8-19H2,1H3,(H,27,31)
InChIKeyBLXBEVLVKISWJI-UHFFFAOYSA-N
XLogP1.57
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfanylethyl)acetamide
CID 130249204
5-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 130201093
1-[(1-hydroxycyclobutyl)methyl]-3-[2-methoxy-4-(methyliminomethyl)phenyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 155214887
3-[2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)propanamide
CID 155171150
2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
CID 130200514
N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide
CID 130202936
3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-ethylpropanamide
CID 138514705
N-(2-amino-2-oxoethyl)-3-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
CID 130201022
cyclohexane;N-methyl-1-phenylcyclopropan-1-amine
CID 156796665
5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide
CID 170237031
5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide
CID 157453340
N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 111331415

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide (CID 130201177) is 3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide is CNC1(c2ccccc2)CCC2(CC1)CN(CCC(=O)NCCO)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide?
The InChIKey is BLXBEVLVKISWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4/c1-26-25(20-6-3-2-4-7-20)13-11-23(12-14-25)18-28(16-8-21(31)27-15-17-30)22(32)29(23)19-24(33)9-5-10-24/h2-4,6-7,26,30,33H,5,8-19H2,1H3,(H,27,31).
What are the key properties of 3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide?
3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide has a molecular weight of 458.60 g/mol, XLogP of 1.57, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 130201177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).