N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide

C17H30N2O5 — CID 162804971

IUPACN-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide
SMILESCOCC1CCCN1CC1OCC(NC(=O)C2CCOCC2)C1O
InChIInChI=1S/C17H30N2O5/c1-22-10-13-3-2-6-19(13)9-15-16(20)14(11-24-15)18-17(21)12-4-7-23-8-5-12/h12-16,20H,2-11H2,1H3,(H,18,21)
InChIKeyJDFNXAOJMVQLGW-UHFFFAOYSA-N
MW342.44 g/mol
LogP-0.23
Rot. Bonds6

About N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide

N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide (PubChem CID 162804971) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide
PubChem CID162804971
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC NameN-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide
SMILESCOCC1CCCN1CC1OCC(NC(=O)C2CCOCC2)C1O
InChIInChI=1S/C17H30N2O5/c1-22-10-13-3-2-6-19(13)9-15-16(20)14(11-24-15)18-17(21)12-4-7-23-8-5-12/h12-16,20H,2-11H2,1H3,(H,18,21)
InChIKeyJDFNXAOJMVQLGW-UHFFFAOYSA-N
XLogP-0.23
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]-2-phenoxyacetamide
CID 162799400
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide
CID 125417642
N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide
CID 125416685
(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)pyrrolidine
CID 142484052
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
(2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine
CID 134386635
N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide
CID 125417765
[(3aR,4R,6aS)-4-[4-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone
CID 71197253
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide
CID 125417214
1-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea
CID 162847650
N-(2-aminocycloheptyl)oxane-4-carboxamide
CID 63258152

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide (CID 162804971) is N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide is COCC1CCCN1CC1OCC(NC(=O)C2CCOCC2)C1O.
What is the InChIKey of N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide?
The InChIKey is JDFNXAOJMVQLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-22-10-13-3-2-6-19(13)9-15-16(20)14(11-24-15)18-17(21)12-4-7-23-8-5-12/h12-16,20H,2-11H2,1H3,(H,18,21).
What are the key properties of N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide?
N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 162804971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).