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

C26H40N4O4 — CID 155171150

IUPAC3-[2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)propanamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CCC(=O)NC1COC1)C(O)N2CC1(O)CCC1
InChIInChI=1S/C26H40N4O4/c1-27-26(20-6-3-2-4-7-20)13-11-24(12-14-26)18-29(15-8-22(31)28-21-16-34-17-21)23(32)30(24)19-25(33)9-5-10-25/h2-4,6-7,21,23,27,32-33H,5,8-19H2,1H3,(H,28,31)
InChIKeyZRYZVPLUXYGCPU-UHFFFAOYSA-N
MW472.63 g/mol
LogP1.13
Rot. Bonds8

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

3-[2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)propanamide (PubChem CID 155171150) has the molecular formula C26H40N4O4 and a molecular weight of 472.63 g/mol. Its IUPAC name is 3-[2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)propanamide.

Molecular Properties

Compound Name3-[2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)propanamide
PubChem CID155171150
Molecular FormulaC26H40N4O4
Molecular Weight472.63 g/mol
Exact Mass472.30
IUPAC Name3-[2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)propanamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CCC(=O)NC1COC1)C(O)N2CC1(O)CCC1
InChIInChI=1S/C26H40N4O4/c1-27-26(20-6-3-2-4-7-20)13-11-24(12-14-26)18-29(15-8-22(31)28-21-16-34-17-21)23(32)30(24)19-25(33)9-5-10-25/h2-4,6-7,21,23,27,32-33H,5,8-19H2,1H3,(H,28,31)
InChIKeyZRYZVPLUXYGCPU-UHFFFAOYSA-N
XLogP1.13
TPSA97.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)propanamide with MolForge

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Related Compounds

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
3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
CID 155431778
3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
CID 166647371
5-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 130201093
cyclohexane;N-methyl-1-phenylcyclopropan-1-amine
CID 156796665
1-[(1-hydroxycyclobutyl)methyl]-3-[2-methoxy-4-(methyliminomethyl)phenyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 155214887
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
N-(1-phenylcyclohexyl)butanamide
CID 110478581
N-(1-phenylcyclopropyl)propanamide
CID 110441332
2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
CID 130200514
N-(2-cyanoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 138533857
2-(cyclopropylmethylamino)-N-(1-phenylcyclobutyl)acetamide;hydrochloride
CID 119697176

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)propanamide?
The IUPAC name of 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) is 3-[2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)propanamide.
What is the SMILES notation for 3-[2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)propanamide?
The canonical SMILES for 3-[2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)propanamide is CNC1(c2ccccc2)CCC2(CC1)CN(CCC(=O)NC1COC1)C(O)N2CC1(O)CCC1.
What is the InChIKey of 3-[2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)propanamide?
The InChIKey is ZRYZVPLUXYGCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O4/c1-27-26(20-6-3-2-4-7-20)13-11-24(12-14-26)18-29(15-8-22(31)28-21-16-34-17-21)23(32)30(24)19-25(33)9-5-10-25/h2-4,6-7,21,23,27,32-33H,5,8-19H2,1H3,(H,28,31).
What are the key properties of 3-[2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)propanamide?
3-[2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)propanamide has a molecular weight of 472.63 g/mol, XLogP of 1.13, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(oxetan-3-yl)propanamide is sourced from PubChem (CID 155171150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).