(4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

C20H20ClNO4 — CID 125175436

IUPAC(4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1C[C@H](C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C2(CCCC2)O1
InChIInChI=1S/C20H20ClNO4/c21-14-5-3-13(4-6-14)17-8-7-15(25-17)12-22-19(24)16-11-18(23)26-20(16)9-1-2-10-20/h3-8,16H,1-2,9-12H2,(H,22,24)/t16-/m1/s1
InChIKeyIZFZNDPASSDNLO-MRXNPFEDSA-N
MW373.84 g/mol
LogP4.09
Rot. Bonds4

About (4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

(4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 125175436) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is (4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID125175436
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name(4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1C[C@H](C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C2(CCCC2)O1
InChIInChI=1S/C20H20ClNO4/c21-14-5-3-13(4-6-14)17-8-7-15(25-17)12-22-19(24)16-11-18(23)26-20(16)9-1-2-10-20/h3-8,16H,1-2,9-12H2,(H,22,24)/t16-/m1/s1
InChIKeyIZFZNDPASSDNLO-MRXNPFEDSA-N
XLogP4.09
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of (4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (CID 125175436) is (4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for (4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for (4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is O=C1C[C@H](C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C2(CCCC2)O1.
What is the InChIKey of (4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is IZFZNDPASSDNLO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20ClNO4/c21-14-5-3-13(4-6-14)17-8-7-15(25-17)12-22-19(24)16-11-18(23)26-20(16)9-1-2-10-20/h3-8,16H,1-2,9-12H2,(H,22,24)/t16-/m1/s1.
What are the key properties of (4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
(4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 125175436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).