methyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate

C24H35N3O4 — CID 58653320

IUPACmethyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(N2CCC[C@@]3(CCN(C4CCC(C)(O)CC4)C3=O)C2)c(C)c1
InChIInChI=1S/C24H35N3O4/c1-17-15-18(25-22(29)31-3)5-6-20(17)26-13-4-9-24(16-26)12-14-27(21(24)28)19-7-10-23(2,30)11-8-19/h5-6,15,19,30H,4,7-14,16H2,1-3H3,(H,25,29)/t19?,23?,24-/m1/s1
InChIKeyMDQUKGXLOMDIIN-PBSMCPNCSA-N
MW429.56 g/mol
LogP3.69
Rot. Bonds3

About methyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate

methyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate (PubChem CID 58653320) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is methyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate
PubChem CID58653320
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Namemethyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(N2CCC[C@@]3(CCN(C4CCC(C)(O)CC4)C3=O)C2)c(C)c1
InChIInChI=1S/C24H35N3O4/c1-17-15-18(25-22(29)31-3)5-6-20(17)26-13-4-9-24(16-26)12-14-27(21(24)28)19-7-10-23(2,30)11-8-19/h5-6,15,19,30H,4,7-14,16H2,1-3H3,(H,25,29)/t19?,23?,24-/m1/s1
InChIKeyMDQUKGXLOMDIIN-PBSMCPNCSA-N
XLogP3.69
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate
CID 76677787
methyl N-[4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl]carbamate
CID 58653373
[4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl] N-methylcarbamate
CID 91531515
2-methylpropyl N-[3-cyano-4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]carbamate
CID 77403690
ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate
CID 76677750
9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722375
[3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate
CID 91614511
(5S)-9-(4-amino-2-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722729
methyl N-[4-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 76677805
N-[4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]methanesulfonamide
CID 58653318
[3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate
CID 142689608
[2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-6-methoxy-3-pyridinyl] N-ethylcarbamate
CID 90865215

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate?
The IUPAC name of methyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate (CID 58653320) is methyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate?
The canonical SMILES for methyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate is COC(=O)Nc1ccc(N2CCC[C@@]3(CCN(C4CCC(C)(O)CC4)C3=O)C2)c(C)c1.
What is the InChIKey of methyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate?
The InChIKey is MDQUKGXLOMDIIN-PBSMCPNCSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-17-15-18(25-22(29)31-3)5-6-20(17)26-13-4-9-24(16-26)12-14-27(21(24)28)19-7-10-23(2,30)11-8-19/h5-6,15,19,30H,4,7-14,16H2,1-3H3,(H,25,29)/t19?,23?,24-/m1/s1.
What are the key properties of methyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate?
methyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate has a molecular weight of 429.56 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(5R)-2-(4-hydroxy-4-methylcyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate is sourced from PubChem (CID 58653320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).