(3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate

C33H45N3O10 — CID 54573548

IUPAC(3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)[C@H]1CC2(CN1Cc1ccc(OC)cc1)OCCCO2.COc1ccc(CN2CC3(C[C@@H]2C(=O)NO)OCCCO3)cc1
InChIInChI=1S/C17H23NO5.C16H22N2O5/c1-20-14-6-4-13(5-7-14)11-18-12-17(22-8-3-9-23-17)10-15(18)16(19)21-2;1-21-13-5-3-12(4-6-13)10-18-11-16(22-7-2-8-23-16)9-14(18)15(19)17-20/h4-7,15H,3,8-12H2,1-2H3;3-6,14,20H,2,7-11H2,1H3,(H,17,19)/t15-;14-/m11/s1
InChIKeyZYZVPNVQPIVZRA-DNYRVLSESA-N
MW643.73 g/mol
LogP2.48
Rot. Bonds8

About (3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate

(3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate (PubChem CID 54573548) has the molecular formula C33H45N3O10 and a molecular weight of 643.73 g/mol. Its IUPAC name is (3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Name(3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate
PubChem CID54573548
Molecular FormulaC33H45N3O10
Molecular Weight643.73 g/mol
Exact Mass643.31
IUPAC Name(3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)[C@H]1CC2(CN1Cc1ccc(OC)cc1)OCCCO2.COc1ccc(CN2CC3(C[C@@H]2C(=O)NO)OCCCO3)cc1
InChIInChI=1S/C17H23NO5.C16H22N2O5/c1-20-14-6-4-13(5-7-14)11-18-12-17(22-8-3-9-23-17)10-15(18)16(19)21-2;1-21-13-5-3-12(4-6-13)10-18-11-16(22-7-2-8-23-16)9-14(18)15(19)17-20/h4-7,15H,3,8-12H2,1-2H3;3-6,14,20H,2,7-11H2,1H3,(H,17,19)/t15-;14-/m11/s1
InChIKeyZYZVPNVQPIVZRA-DNYRVLSESA-N
XLogP2.48
TPSA137.49 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.73
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate?
The IUPAC name of (3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate (CID 54573548) is (3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for (3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for (3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate is COC(=O)[C@H]1CC2(CN1Cc1ccc(OC)cc1)OCCCO2.COc1ccc(CN2CC3(C[C@@H]2C(=O)NO)OCCCO3)cc1.
What is the InChIKey of (3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate?
The InChIKey is ZYZVPNVQPIVZRA-DNYRVLSESA-N. The full InChI is InChI=1S/C17H23NO5.C16H22N2O5/c1-20-14-6-4-13(5-7-14)11-18-12-17(22-8-3-9-23-17)10-15(18)16(19)21-2;1-21-13-5-3-12(4-6-13)10-18-11-16(22-7-2-8-23-16)9-14(18)15(19)17-20/h4-7,15H,3,8-12H2,1-2H3;3-6,14,20H,2,7-11H2,1H3,(H,17,19)/t15-;14-/m11/s1.
What are the key properties of (3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate?
(3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate has a molecular weight of 643.73 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hydroxy-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (3R)-2-[(4-methoxyphenyl)methyl]-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 54573548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).