phenyl 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate

C24H29N3O4 — CID 3233060

IUPACphenyl 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)Oc2ccccc2)CC3)cc1
InChIInChI=1S/C24H29N3O4/c1-30-20-9-7-19(8-10-20)25-22(28)26-15-11-24(12-16-26)13-17-27(18-14-24)23(29)31-21-5-3-2-4-6-21/h2-10H,11-18H2,1H3,(H,25,28)
InChIKeyGLNOQSMBROGQFD-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.60
Rot. Bonds3

About phenyl 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate

phenyl 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 3233060) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is phenyl 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Namephenyl 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID3233060
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Namephenyl 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)Oc2ccccc2)CC3)cc1
InChIInChI=1S/C24H29N3O4/c1-30-20-9-7-19(8-10-20)25-22(28)26-15-11-24(12-16-26)13-17-27(18-14-24)23(29)31-21-5-3-2-4-6-21/h2-10H,11-18H2,1H3,(H,25,28)
InChIKeyGLNOQSMBROGQFD-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 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of phenyl 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 3233060) is phenyl 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for phenyl 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for phenyl 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate is COc1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)Oc2ccccc2)CC3)cc1.
What is the InChIKey of phenyl 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is GLNOQSMBROGQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-30-20-9-7-19(8-10-20)25-22(28)26-15-11-24(12-16-26)13-17-27(18-14-24)23(29)31-21-5-3-2-4-6-21/h2-10H,11-18H2,1H3,(H,25,28).
What are the key properties of phenyl 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate?
phenyl 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-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 9-[(4-methoxyphenyl)carbamoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 3233060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).