phenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate

C20H29N3O3 — CID 3235409

IUPACphenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)NC(=O)N1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1
InChIInChI=1S/C20H29N3O3/c1-16(2)21-18(24)23-12-6-9-20(15-23)10-13-22(14-11-20)19(25)26-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,21,24)
InChIKeyVIBMZYIMFQHUGK-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.48
Rot. Bonds2

About phenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate

phenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 3235409) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is phenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namephenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID3235409
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Namephenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)NC(=O)N1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1
InChIInChI=1S/C20H29N3O3/c1-16(2)21-18(24)23-12-6-9-20(15-23)10-13-22(14-11-20)19(25)26-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,21,24)
InChIKeyVIBMZYIMFQHUGK-UHFFFAOYSA-N
XLogP3.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of phenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 3235409) is phenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for phenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for phenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate is CC(C)NC(=O)N1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1.
What is the InChIKey of phenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is VIBMZYIMFQHUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16(2)21-18(24)23-12-6-9-20(15-23)10-13-22(14-11-20)19(25)26-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,21,24).
What are the key properties of phenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
phenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 3235409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).