8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C19H27N3O4 — CID 131661365

IUPAC8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)C1COC2(CN(C(=O)c3cc(C)oc3C)C2)CN1CC1CC1
InChIInChI=1S/C19H27N3O4/c1-12-6-15(13(2)26-12)18(24)22-10-19(11-22)9-21(7-14-4-5-14)16(8-25-19)17(23)20-3/h6,14,16H,4-5,7-11H2,1-3H3,(H,20,23)
InChIKeyIXQLGKBHGNFDNP-UHFFFAOYSA-N
MW361.44 g/mol
LogP0.95
Rot. Bonds4

About 8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 131661365) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID131661365
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)C1COC2(CN(C(=O)c3cc(C)oc3C)C2)CN1CC1CC1
InChIInChI=1S/C19H27N3O4/c1-12-6-15(13(2)26-12)18(24)22-10-19(11-22)9-21(7-14-4-5-14)16(8-25-19)17(23)20-3/h6,14,16H,4-5,7-11H2,1-3H3,(H,20,23)
InChIKeyIXQLGKBHGNFDNP-UHFFFAOYSA-N
XLogP0.95
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-8-(cyclopropylmethyl)-N-methyl-2-(5-methylpyridine-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124913569
(7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124799177
2-(cyclopentene-1-carbonyl)-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131663319
(7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124801885
2-butanoyl-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693582
2-(cyclopentylmethyl)-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131677325
(7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124805485
2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 133143006
(7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124798787
[(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 124788943
8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131677509
8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155851259

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 131661365) is 8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CNC(=O)C1COC2(CN(C(=O)c3cc(C)oc3C)C2)CN1CC1CC1.
What is the InChIKey of 8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is IXQLGKBHGNFDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-12-6-15(13(2)26-12)18(24)22-10-19(11-22)9-21(7-14-4-5-14)16(8-25-19)17(23)20-3/h6,14,16H,4-5,7-11H2,1-3H3,(H,20,23).
What are the key properties of 8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 131661365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).