[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate

C21H29N3O4 — CID 91148342

IUPAC[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate
SMILESCOc1cccc(C2=CC3(CCN(OC(=O)NC4CCCCC4)CC3)ON2)c1
InChIInChI=1S/C21H29N3O4/c1-26-18-9-5-6-16(14-18)19-15-21(28-23-19)10-12-24(13-11-21)27-20(25)22-17-7-3-2-4-8-17/h5-6,9,14-15,17,23H,2-4,7-8,10-13H2,1H3,(H,22,25)
InChIKeyHPBMIDAQKBWQLU-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.38
Rot. Bonds4

About [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate

[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate (PubChem CID 91148342) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate
PubChem CID91148342
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate
SMILESCOc1cccc(C2=CC3(CCN(OC(=O)NC4CCCCC4)CC3)ON2)c1
InChIInChI=1S/C21H29N3O4/c1-26-18-9-5-6-16(14-18)19-15-21(28-23-19)10-12-24(13-11-21)27-20(25)22-17-7-3-2-4-8-17/h5-6,9,14-15,17,23H,2-4,7-8,10-13H2,1H3,(H,22,25)
InChIKeyHPBMIDAQKBWQLU-UHFFFAOYSA-N
XLogP3.38
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

O-[[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]] N-(3-methoxyphenyl)carbamothioate
CID 90933555
3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91347677
N-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90892410
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91209047
N-cyclohexyl-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503730
3-tert-butyl-1-[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]-5-phenylpenta-2,4-dien-1-one
CID 91343337
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722
O-[(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)] N-(cyclohexylmethyl)carbamothioate
CID 90952247
(2S)-N-cyclohexyl-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7364645
N-cyclopentyl-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039423
[3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate
CID 69173921
(3-phenylphenyl) N-cyclopentylcarbamate
CID 24881674

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate (CID 91148342) is [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate is COc1cccc(C2=CC3(CCN(OC(=O)NC4CCCCC4)CC3)ON2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate?
The InChIKey is HPBMIDAQKBWQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-26-18-9-5-6-16(14-18)19-15-21(28-23-19)10-12-24(13-11-21)27-20(25)22-17-7-3-2-4-8-17/h5-6,9,14-15,17,23H,2-4,7-8,10-13H2,1H3,(H,22,25).
What are the key properties of [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate?
[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate has a molecular weight of 387.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate is sourced from PubChem (CID 91148342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).