N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide

C24H35N3O4 — CID 91434651

IUPACN-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide
SMILESCCCCNC(=O)N1CCCC2(C=C(c3ccc(OC)c(OC4CCCC4)c3)NO2)C1
InChIInChI=1S/C24H35N3O4/c1-3-4-13-25-23(28)27-14-7-12-24(17-27)16-20(26-31-24)18-10-11-21(29-2)22(15-18)30-19-8-5-6-9-19/h10-11,15-16,19,26H,3-9,12-14,17H2,1-2H3,(H,25,28)
InChIKeyKZVVAFQZAUWXGB-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.24
Rot. Bonds7

About N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide

N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide (PubChem CID 91434651) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide
PubChem CID91434651
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC NameN-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide
SMILESCCCCNC(=O)N1CCCC2(C=C(c3ccc(OC)c(OC4CCCC4)c3)NO2)C1
InChIInChI=1S/C24H35N3O4/c1-3-4-13-25-23(28)27-14-7-12-24(17-27)16-20(26-31-24)18-10-11-21(29-2)22(15-18)30-19-8-5-6-9-19/h10-11,15-16,19,26H,3-9,12-14,17H2,1-2H3,(H,25,28)
InChIKeyKZVVAFQZAUWXGB-UHFFFAOYSA-N
XLogP4.24
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide
CID 57434215
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CID 91270856
1-butyl-1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]urea
CID 90922806
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-(oxolan-3-yl)methanone
CID 91536341
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazole-5-carbonyl]piperidin-4-one
CID 91203231
1-[5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-ethyl-2-methyl-1,3,4-oxadiazol-3-yl]ethanone
CID 91117618
[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 91432284
2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide
CID 139815990
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole
CID 91531973
N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide
CID 11568609
7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene
CID 91494855
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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide?
The IUPAC name of N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide (CID 91434651) is N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide.
What is the SMILES notation for N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide?
The canonical SMILES for N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide is CCCCNC(=O)N1CCCC2(C=C(c3ccc(OC)c(OC4CCCC4)c3)NO2)C1.
What is the InChIKey of N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide?
The InChIKey is KZVVAFQZAUWXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-3-4-13-25-23(28)27-14-7-12-24(17-27)16-20(26-31-24)18-10-11-21(29-2)22(15-18)30-19-8-5-6-9-19/h10-11,15-16,19,26H,3-9,12-14,17H2,1-2H3,(H,25,28).
What are the key properties of N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide?
N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide is sourced from PubChem (CID 91434651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).