formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide

C19H29N3O7 — CID 171711429

IUPACformic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide
SMILESCNC(=O)CN1CCC2(CC1)C[C@@](C)(NC(=O)c1ccco1)[C@H](O)CO2.O=CO
InChIInChI=1S/C18H27N3O5.CH2O2/c1-17(20-16(24)13-4-3-9-25-13)12-18(26-11-14(17)22)5-7-21(8-6-18)10-15(23)19-2;2-1-3/h3-4,9,14,22H,5-8,10-12H2,1-2H3,(H,19,23)(H,20,24);1H,(H,2,3)/t14-,17-;/m1./s1
InChIKeyRNBMWWKOTVKZPH-SATBOSKTSA-N
MW411.46 g/mol
LogP-0.17
Rot. Bonds4

About formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide

formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide (PubChem CID 171711429) has the molecular formula C19H29N3O7 and a molecular weight of 411.46 g/mol. Its IUPAC name is formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide
PubChem CID171711429
Molecular FormulaC19H29N3O7
Molecular Weight411.46 g/mol
Exact Mass411.20
IUPAC Nameformic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide
SMILESCNC(=O)CN1CCC2(CC1)C[C@@](C)(NC(=O)c1ccco1)[C@H](O)CO2.O=CO
InChIInChI=1S/C18H27N3O5.CH2O2/c1-17(20-16(24)13-4-3-9-25-13)12-18(26-11-14(17)22)5-7-21(8-6-18)10-15(23)19-2;2-1-3/h3-4,9,14,22H,5-8,10-12H2,1-2H3,(H,19,23)(H,20,24);1H,(H,2,3)/t14-,17-;/m1./s1
InChIKeyRNBMWWKOTVKZPH-SATBOSKTSA-N
XLogP-0.17
TPSA141.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide
CID 166614505
formic acid;(3S,4S)-9-[(3-hydroxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 154916032
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone;formic acid
CID 166598754
N-(2-piperazin-1-ylacetyl)furan-2-carboxamide
CID 43162394
2-ethoxy-N-[(3R,4S)-3-hydroxy-4-methyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 137337369
N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide
CID 43556804
N-[(4S,5R)-9-[(5-cyano-1H-pyrrol-3-yl)methyl]-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide
CID 169411102
N-[(3R,4S)-3-hydroxy-4-methyl-9-(2-methylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-methylimidazole-4-carboxamide
CID 137345673
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone
CID 118741004
2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
CID 97493598
formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 154914367
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide?
The IUPAC name of formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide (CID 171711429) is formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide.
What is the SMILES notation for formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide?
The canonical SMILES for formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide is CNC(=O)CN1CCC2(CC1)C[C@@](C)(NC(=O)c1ccco1)[C@H](O)CO2.O=CO.
What is the InChIKey of formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide?
The InChIKey is RNBMWWKOTVKZPH-SATBOSKTSA-N. The full InChI is InChI=1S/C18H27N3O5.CH2O2/c1-17(20-16(24)13-4-3-9-25-13)12-18(26-11-14(17)22)5-7-21(8-6-18)10-15(23)19-2;2-1-3/h3-4,9,14,22H,5-8,10-12H2,1-2H3,(H,19,23)(H,20,24);1H,(H,2,3)/t14-,17-;/m1./s1.
What are the key properties of formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide?
formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of -0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide is sourced from PubChem (CID 171711429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).