(4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide

C22H30FN3O3 — CID 146065805

IUPAC(4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCC1CCCCC1)[C@H]1CN(Cc2ccc(F)cc2)C[C@@]12OCCNC2=O
InChIInChI=1S/C22H30FN3O3/c23-18-8-6-17(7-9-18)13-26-14-19(22(15-26)21(28)24-10-11-29-22)20(27)25-12-16-4-2-1-3-5-16/h6-9,16,19H,1-5,10-15H2,(H,24,28)(H,25,27)/t19-,22-/m1/s1
InChIKeyNWJUORRCRACTHI-DENIHFKCSA-N
MW403.50 g/mol
LogP1.84
Rot. Bonds5

About (4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide

(4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide (PubChem CID 146065805) has the molecular formula C22H30FN3O3 and a molecular weight of 403.50 g/mol. Its IUPAC name is (4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
PubChem CID146065805
Molecular FormulaC22H30FN3O3
Molecular Weight403.50 g/mol
Exact Mass403.23
IUPAC Name(4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCC1CCCCC1)[C@H]1CN(Cc2ccc(F)cc2)C[C@@]12OCCNC2=O
InChIInChI=1S/C22H30FN3O3/c23-18-8-6-17(7-9-18)13-26-14-19(22(15-26)21(28)24-10-11-29-22)20(27)25-12-16-4-2-1-3-5-16/h6-9,16,19H,1-5,10-15H2,(H,24,28)(H,25,27)/t19-,22-/m1/s1
InChIKeyNWJUORRCRACTHI-DENIHFKCSA-N
XLogP1.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide (CID 146065805) is (4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide is O=C(NCC1CCCCC1)[C@H]1CN(Cc2ccc(F)cc2)C[C@@]12OCCNC2=O.
What is the InChIKey of (4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
The InChIKey is NWJUORRCRACTHI-DENIHFKCSA-N. The full InChI is InChI=1S/C22H30FN3O3/c23-18-8-6-17(7-9-18)13-26-14-19(22(15-26)21(28)24-10-11-29-22)20(27)25-12-16-4-2-1-3-5-16/h6-9,16,19H,1-5,10-15H2,(H,24,28)(H,25,27)/t19-,22-/m1/s1.
What are the key properties of (4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
(4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 146065805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).