(3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

C18H25N3O5 — CID 97282135

IUPAC(3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCNC(=O)c1cc(NC(=O)N2CCC3(CC2)C[C@H](O)CO3)ccc1OC
InChIInChI=1S/C18H25N3O5/c1-19-16(23)14-9-12(3-4-15(14)25-2)20-17(24)21-7-5-18(6-8-21)10-13(22)11-26-18/h3-4,9,13,22H,5-8,10-11H2,1-2H3,(H,19,23)(H,20,24)/t13-/m0/s1
InChIKeyCXJHKTJULLNQNR-ZDUSSCGKSA-N
MW363.41 g/mol
LogP1.20
Rot. Bonds3

About (3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

(3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 97282135) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID97282135
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name(3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCNC(=O)c1cc(NC(=O)N2CCC3(CC2)C[C@H](O)CO3)ccc1OC
InChIInChI=1S/C18H25N3O5/c1-19-16(23)14-9-12(3-4-15(14)25-2)20-17(24)21-7-5-18(6-8-21)10-13(22)11-26-18/h3-4,9,13,22H,5-8,10-11H2,1-2H3,(H,19,23)(H,20,24)/t13-/m0/s1
InChIKeyCXJHKTJULLNQNR-ZDUSSCGKSA-N
XLogP1.20
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97286410
N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 118762325
(3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97285803
methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 74247912
(3S,4S)-N-(5-chloro-2-methoxyphenyl)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 135113056
N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 74234628
(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
CID 111431474
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 118760794
N-(4-methoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47322511
4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91917956
N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
CID 110800478
4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 118788124

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (CID 97282135) is (3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is CNC(=O)c1cc(NC(=O)N2CCC3(CC2)C[C@H](O)CO3)ccc1OC.
What is the InChIKey of (3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is CXJHKTJULLNQNR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-19-16(23)14-9-12(3-4-15(14)25-2)20-17(24)21-7-5-18(6-8-21)10-13(22)11-26-18/h3-4,9,13,22H,5-8,10-11H2,1-2H3,(H,19,23)(H,20,24)/t13-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
(3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 97282135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).