(3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C19H28ClN3O2 — CID 95894798

IUPAC(3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)C[C@@H]1C(=O)NCCOCc1ccc(Cl)cc1
InChIInChI=1S/C19H28ClN3O2/c1-23-14-19(6-8-21-9-7-19)12-17(23)18(24)22-10-11-25-13-15-2-4-16(20)5-3-15/h2-5,17,21H,6-14H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyXIQMGWNMBMQYDW-QGZVFWFLSA-N
MW365.91 g/mol
LogP2.05
Rot. Bonds6

About (3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95894798) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is (3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95894798
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name(3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)C[C@@H]1C(=O)NCCOCc1ccc(Cl)cc1
InChIInChI=1S/C19H28ClN3O2/c1-23-14-19(6-8-21-9-7-19)12-17(23)18(24)22-10-11-25-13-15-2-4-16(20)5-3-15/h2-5,17,21H,6-14H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyXIQMGWNMBMQYDW-QGZVFWFLSA-N
XLogP2.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95894798) is (3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CN1CC2(CCNCC2)C[C@@H]1C(=O)NCCOCc1ccc(Cl)cc1.
What is the InChIKey of (3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is XIQMGWNMBMQYDW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-23-14-19(6-8-21-9-7-19)12-17(23)18(24)22-10-11-25-13-15-2-4-16(20)5-3-15/h2-5,17,21H,6-14H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 365.91 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95894798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).