phenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate

C24H29N3O4 — CID 3232964

IUPACphenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOc1ccc(NC(=O)N2CCCC3(CCN(C(=O)Oc4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H29N3O4/c1-30-20-10-8-19(9-11-20)25-22(28)27-15-5-12-24(18-27)13-16-26(17-14-24)23(29)31-21-6-3-2-4-7-21/h2-4,6-11H,5,12-18H2,1H3,(H,25,28)
InChIKeyCOSJBNDYARRWGP-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.60
Rot. Bonds3

About phenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate

phenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 3232964) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is phenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namephenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID3232964
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Namephenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOc1ccc(NC(=O)N2CCCC3(CCN(C(=O)Oc4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H29N3O4/c1-30-20-10-8-19(9-11-20)25-22(28)27-15-5-12-24(18-27)13-16-26(17-14-24)23(29)31-21-6-3-2-4-7-21/h2-4,6-11H,5,12-18H2,1H3,(H,25,28)
InChIKeyCOSJBNDYARRWGP-UHFFFAOYSA-N
XLogP4.60
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of phenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 3232964) is phenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for phenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for phenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate is COc1ccc(NC(=O)N2CCCC3(CCN(C(=O)Oc4ccccc4)CC3)C2)cc1.
What is the InChIKey of phenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is COSJBNDYARRWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-30-20-10-8-19(9-11-20)25-22(28)27-15-5-12-24(18-27)13-16-26(17-14-24)23(29)31-21-6-3-2-4-7-21/h2-4,6-11H,5,12-18H2,1H3,(H,25,28).
What are the key properties of phenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate?
phenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 423.51 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[(4-methoxyphenyl)carbamoyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 3232964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).