methyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane

C24H39N3O4 — CID 143644243

IUPACmethyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane
SMILESCCC.COC(=O)CNC(=O)N1CCC2(CC1)CN(CC(C)C)C2c1ccc(O)cc1
InChIInChI=1S/C21H31N3O4.C3H8/c1-15(2)13-24-14-21(19(24)16-4-6-17(25)7-5-16)8-10-23(11-9-21)20(27)22-12-18(26)28-3;1-3-2/h4-7,15,19,25H,8-14H2,1-3H3,(H,22,27);3H2,1-2H3
InChIKeyGXEUTFKZJWYPBU-UHFFFAOYSA-N
MW433.59 g/mol
LogP3.79
Rot. Bonds5

About methyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane

methyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane (PubChem CID 143644243) has the molecular formula C24H39N3O4 and a molecular weight of 433.59 g/mol. Its IUPAC name is methyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane.

Molecular Properties

Compound Namemethyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane
PubChem CID143644243
Molecular FormulaC24H39N3O4
Molecular Weight433.59 g/mol
Exact Mass433.29
IUPAC Namemethyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane
SMILESCCC.COC(=O)CNC(=O)N1CCC2(CC1)CN(CC(C)C)C2c1ccc(O)cc1
InChIInChI=1S/C21H31N3O4.C3H8/c1-15(2)13-24-14-21(19(24)16-4-6-17(25)7-5-16)8-10-23(11-9-21)20(27)22-12-18(26)28-3;1-3-2/h4-7,15,19,25H,8-14H2,1-3H3,(H,22,27);3H2,1-2H3
InChIKeyGXEUTFKZJWYPBU-UHFFFAOYSA-N
XLogP3.79
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane?
The IUPAC name of methyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane (CID 143644243) is methyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane.
What is the SMILES notation for methyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane?
The canonical SMILES for methyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane is CCC.COC(=O)CNC(=O)N1CCC2(CC1)CN(CC(C)C)C2c1ccc(O)cc1.
What is the InChIKey of methyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane?
The InChIKey is GXEUTFKZJWYPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4.C3H8/c1-15(2)13-24-14-21(19(24)16-4-6-17(25)7-5-16)8-10-23(11-9-21)20(27)22-12-18(26)28-3;1-3-2/h4-7,15,19,25H,8-14H2,1-3H3,(H,22,27);3H2,1-2H3.
What are the key properties of methyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane?
methyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane has a molecular weight of 433.59 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane is sourced from PubChem (CID 143644243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).