N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C17H26N2O4 — CID 91794402

IUPACN-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C17H26N2O4/c1-2-22-16-12-21-10-7-14(16)18-17(20)15-6-5-13(23-15)11-19-8-3-4-9-19/h5-6,14,16H,2-4,7-12H2,1H3,(H,18,20)/t14-,16-/m1/s1
InChIKeyXQJMSZKSWWDOSP-GDBMZVCRSA-N
MW322.40 g/mol
LogP1.80
Rot. Bonds6

About N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 91794402) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID91794402
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC NameN-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C17H26N2O4/c1-2-22-16-12-21-10-7-14(16)18-17(20)15-6-5-13(23-15)11-19-8-3-4-9-19/h5-6,14,16H,2-4,7-12H2,1H3,(H,18,20)/t14-,16-/m1/s1
InChIKeyXQJMSZKSWWDOSP-GDBMZVCRSA-N
XLogP1.80
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 91790068
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 50981113
N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
CID 91764505
2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide
CID 91774837
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
N-(3-ethoxyoxan-4-yl)acetamide
CID 131089007
N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide
CID 156608381
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 91776740
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-piperidin-1-ylacetamide
CID 91786681
5-(pyrrolidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)furan-2-carboxamide
CID 131893923
N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131897507

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 91794402) is N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(CN2CCCC2)o1.
What is the InChIKey of N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is XQJMSZKSWWDOSP-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-2-22-16-12-21-10-7-14(16)18-17(20)15-6-5-13(23-15)11-19-8-3-4-9-19/h5-6,14,16H,2-4,7-12H2,1H3,(H,18,20)/t14-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 322.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 91794402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).