(5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide

C22H27N3O2 — CID 125157717

IUPAC(5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCOc1ccc(-c2ccccc2)cc1NC(=O)N1CCC[C@]2(CCNC2)C1
InChIInChI=1S/C22H27N3O2/c1-27-20-9-8-18(17-6-3-2-4-7-17)14-19(20)24-21(26)25-13-5-10-22(16-25)11-12-23-15-22/h2-4,6-9,14,23H,5,10-13,15-16H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyIAYLJBZTWIXJED-JOCHJYFZSA-N
MW365.48 g/mol
LogP3.97
Rot. Bonds3

About (5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide

(5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide (PubChem CID 125157717) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name(5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
PubChem CID125157717
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCOc1ccc(-c2ccccc2)cc1NC(=O)N1CCC[C@]2(CCNC2)C1
InChIInChI=1S/C22H27N3O2/c1-27-20-9-8-18(17-6-3-2-4-7-17)14-19(20)24-21(26)25-13-5-10-22(16-25)11-12-23-15-22/h2-4,6-9,14,23H,5,10-13,15-16H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyIAYLJBZTWIXJED-JOCHJYFZSA-N
XLogP3.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide?
The IUPAC name of (5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide (CID 125157717) is (5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for (5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for (5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide is COc1ccc(-c2ccccc2)cc1NC(=O)N1CCC[C@]2(CCNC2)C1.
What is the InChIKey of (5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide?
The InChIKey is IAYLJBZTWIXJED-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-27-20-9-8-18(17-6-3-2-4-7-17)14-19(20)24-21(26)25-13-5-10-22(16-25)11-12-23-15-22/h2-4,6-9,14,23H,5,10-13,15-16H2,1H3,(H,24,26)/t22-/m1/s1.
What are the key properties of (5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide?
(5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 125157717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).