methyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate

C20H27N3O4 — CID 162632566

IUPACmethyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)N2CCCC23CCCN(C(C)C)C3=O)cc1
InChIInChI=1S/C20H27N3O4/c1-14(2)22-12-4-10-20(18(22)25)11-5-13-23(20)19(26)21-16-8-6-15(7-9-16)17(24)27-3/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,26)
InChIKeyXNVKGGFMPJNDAE-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.87
Rot. Bonds3

About methyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate

methyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate (PubChem CID 162632566) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is methyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate
PubChem CID162632566
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Namemethyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)N2CCCC23CCCN(C(C)C)C3=O)cc1
InChIInChI=1S/C20H27N3O4/c1-14(2)22-12-4-10-20(18(22)25)11-5-13-23(20)19(26)21-16-8-6-15(7-9-16)17(24)27-3/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,26)
InChIKeyXNVKGGFMPJNDAE-UHFFFAOYSA-N
XLogP2.87
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate (CID 162632566) is methyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)N2CCCC23CCCN(C(C)C)C3=O)cc1.
What is the InChIKey of methyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate?
The InChIKey is XNVKGGFMPJNDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-14(2)22-12-4-10-20(18(22)25)11-5-13-23(20)19(26)21-16-8-6-15(7-9-16)17(24)27-3/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,26).
What are the key properties of methyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate?
methyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate has a molecular weight of 373.45 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decane-1-carbonyl)amino]benzoate is sourced from PubChem (CID 162632566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).