(5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C19H28N2O3 — CID 133141385

IUPAC(5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESC[C@@H]1CN(Cc2ccco2)CC[C@@]12CCC(C(=O)NCC1CC1)O2
InChIInChI=1S/C19H28N2O3/c1-14-12-21(13-16-3-2-10-23-16)9-8-19(14)7-6-17(24-19)18(22)20-11-15-4-5-15/h2-3,10,14-15,17H,4-9,11-13H2,1H3,(H,20,22)/t14-,17?,19+/m1/s1
InChIKeyBPZPTDPECSBJIN-UKFYSOHNSA-N
MW332.44 g/mol
LogP2.57
Rot. Bonds5

About (5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

(5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 133141385) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID133141385
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESC[C@@H]1CN(Cc2ccco2)CC[C@@]12CCC(C(=O)NCC1CC1)O2
InChIInChI=1S/C19H28N2O3/c1-14-12-21(13-16-3-2-10-23-16)9-8-19(14)7-6-17(24-19)18(22)20-11-15-4-5-15/h2-3,10,14-15,17H,4-9,11-13H2,1H3,(H,20,22)/t14-,17?,19+/m1/s1
InChIKeyBPZPTDPECSBJIN-UKFYSOHNSA-N
XLogP2.57
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383921
(2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383913
(5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134690499
(2S)-N,8-bis(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97422219
N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 95200289
1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea
CID 56741397
(5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471586
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide
CID 16896113
2,6-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896109
N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076793
N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850234

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 133141385) is (5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is C[C@@H]1CN(Cc2ccco2)CC[C@@]12CCC(C(=O)NCC1CC1)O2.
What is the InChIKey of (5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is BPZPTDPECSBJIN-UKFYSOHNSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-12-21(13-16-3-2-10-23-16)9-8-19(14)7-6-17(24-19)18(22)20-11-15-4-5-15/h2-3,10,14-15,17H,4-9,11-13H2,1H3,(H,20,22)/t14-,17?,19+/m1/s1.
What are the key properties of (5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
(5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 133141385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).