(2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C18H24N2O4 — CID 97383821

IUPAC(2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCC1CC1)[C@@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)O1
InChIInChI=1S/C18H24N2O4/c21-16(19-11-13-1-2-13)15-3-5-18(24-15)6-8-20(9-7-18)17(22)14-4-10-23-12-14/h4,10,12-13,15H,1-3,5-9,11H2,(H,19,21)/t15-/m0/s1
InChIKeySZYSRNWQBDFHJC-HNNXBMFYSA-N
MW332.40 g/mol
LogP1.96
Rot. Bonds4

About (2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

(2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 97383821) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID97383821
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCC1CC1)[C@@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)O1
InChIInChI=1S/C18H24N2O4/c21-16(19-11-13-1-2-13)15-3-5-18(24-15)6-8-20(9-7-18)17(22)14-4-10-23-12-14/h4,10,12-13,15H,1-3,5-9,11H2,(H,19,21)/t15-/m0/s1
InChIKeySZYSRNWQBDFHJC-HNNXBMFYSA-N
XLogP1.96
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850234
N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 131690745
N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076793
N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide
CID 42237886
N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide
CID 45182506
N-(cyclopropylmethyl)-2-(furan-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 131649912
(2R)-N-(cyclopropylmethyl)-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383839
1-(furan-3-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 111445987
(2R)-N-(cyclopropylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383812
4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521806
1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea
CID 90522000
[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
CID 134070362

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 97383821) is (2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is O=C(NCC1CC1)[C@@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)O1.
What is the InChIKey of (2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is SZYSRNWQBDFHJC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-16(19-11-13-1-2-13)15-3-5-18(24-15)6-8-20(9-7-18)17(22)14-4-10-23-12-14/h4,10,12-13,15H,1-3,5-9,11H2,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
(2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 97383821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).