[3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate

C24H35N3O4 — CID 142689608

IUPAC[3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate
SMILESCCc1c(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)ccc(OC(N)=O)c1C
InChIInChI=1S/C24H35N3O4/c1-3-19-16(2)21(31-23(25)30)10-9-20(19)26-13-4-11-24(15-26)12-14-27(22(24)29)17-5-7-18(28)8-6-17/h9-10,17-18,28H,3-8,11-15H2,1-2H3,(H2,25,30)/t17?,18?,24-/m1/s1
InChIKeyNYSOPQNXAYKYIQ-YOHDVBOVSA-N
MW429.56 g/mol
LogP3.14
Rot. Bonds4

About [3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate

[3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate (PubChem CID 142689608) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is [3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate.

Molecular Properties

Compound Name[3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate
PubChem CID142689608
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name[3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate
SMILESCCc1c(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)ccc(OC(N)=O)c1C
InChIInChI=1S/C24H35N3O4/c1-3-19-16(2)21(31-23(25)30)10-9-20(19)26-13-4-11-24(15-26)12-14-27(22(24)29)17-5-7-18(28)8-6-17/h9-10,17-18,28H,3-8,11-15H2,1-2H3,(H2,25,30)/t17?,18?,24-/m1/s1
InChIKeyNYSOPQNXAYKYIQ-YOHDVBOVSA-N
XLogP3.14
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate?
The IUPAC name of [3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate (CID 142689608) is [3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate.
What is the SMILES notation for [3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate?
The canonical SMILES for [3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate is CCc1c(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)ccc(OC(N)=O)c1C.
What is the InChIKey of [3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate?
The InChIKey is NYSOPQNXAYKYIQ-YOHDVBOVSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-3-19-16(2)21(31-23(25)30)10-9-20(19)26-13-4-11-24(15-26)12-14-27(22(24)29)17-5-7-18(28)8-6-17/h9-10,17-18,28H,3-8,11-15H2,1-2H3,(H2,25,30)/t17?,18?,24-/m1/s1.
What are the key properties of [3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate?
[3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate has a molecular weight of 429.56 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate is sourced from PubChem (CID 142689608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).