1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C50H70N6O3 — CID 162216107

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)N2CC1CCC1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cc1
InChIInChI=1S/C29H39N3O2.C21H31N3O/c1-30(2)29(25-10-5-4-6-11-25)18-16-28(17-19-29)22-31(20-24-12-14-26(34-3)15-13-24)27(33)32(28)21-23-8-7-9-23;1-23(2)21(18-9-4-3-5-10-18)13-11-20(12-14-21)16-22-19(25)24(20)15-17-7-6-8-17/h4-6,10-15,23H,7-9,16-22H2,1-3H3;3-5,9-10,17H,6-8,11-16H2,1-2H3,(H,22,25)
InChIKeyZTMIIBCRCDMRSM-UHFFFAOYSA-N
MW803.15 g/mol
LogP9.08
Rot. Bonds11

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 162216107) has the molecular formula C50H70N6O3 and a molecular weight of 803.15 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID162216107
Molecular FormulaC50H70N6O3
Molecular Weight803.15 g/mol
Exact Mass802.55
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)N2CC1CCC1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cc1
InChIInChI=1S/C29H39N3O2.C21H31N3O/c1-30(2)29(25-10-5-4-6-11-25)18-16-28(17-19-29)22-31(20-24-12-14-26(34-3)15-13-24)27(33)32(28)21-23-8-7-9-23;1-23(2)21(18-9-4-3-5-10-18)13-11-20(12-14-21)16-22-19(25)24(20)15-17-7-6-8-17/h4-6,10-15,23H,7-9,16-22H2,1-3H3;3-5,9-10,17H,6-8,11-16H2,1-2H3,(H,22,25)
InChIKeyZTMIIBCRCDMRSM-UHFFFAOYSA-N
XLogP9.08
TPSA71.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.15
LogP ≤ 59.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130202413
1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride
CID 130202319
1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202613
8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202575
1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 130202422
8-(dimethylamino)-1-[(1-methoxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202569
8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(3-methylbut-2-enyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202429
methyl 2-[[1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-8-yl]methylamino]acetate
CID 130202364
8-(dimethylamino)-1-(3-hydroxypropyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202565
8-(dimethylamino)-1-(3-hydroxy-3-methylbutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202404
1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one
CID 155200018
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130220323

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 162216107) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)N2CC1CCC1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cc1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is ZTMIIBCRCDMRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O2.C21H31N3O/c1-30(2)29(25-10-5-4-6-11-25)18-16-28(17-19-29)22-31(20-24-12-14-26(34-3)15-13-24)27(33)32(28)21-23-8-7-9-23;1-23(2)21(18-9-4-3-5-10-18)13-11-20(12-14-21)16-22-19(25)24(20)15-17-7-6-8-17/h4-6,10-15,23H,7-9,16-22H2,1-3H3;3-5,9-10,17H,6-8,11-16H2,1-2H3,(H,22,25).
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 803.15 g/mol, XLogP of 9.08, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 162216107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).