4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide

C17H20N2O4 — CID 146434338

IUPAC4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCO)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C17H20N2O4/c1-11(12-6-4-3-5-7-12)15-13(16(21)19-8-9-20)10-14(23-15)17(22)18-2/h3-7,10-11,20H,8-9H2,1-2H3,(H,18,22)(H,19,21)/t11-/m0/s1
InChIKeyZHBWEFYITNIJOW-NSHDSACASA-N
MW316.36 g/mol
LogP1.51
Rot. Bonds6

About 4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide

4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (PubChem CID 146434338) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
PubChem CID146434338
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCO)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C17H20N2O4/c1-11(12-6-4-3-5-7-12)15-13(16(21)19-8-9-20)10-14(23-15)17(22)18-2/h3-7,10-11,20H,8-9H2,1-2H3,(H,18,22)(H,19,21)/t11-/m0/s1
InChIKeyZHBWEFYITNIJOW-NSHDSACASA-N
XLogP1.51
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (CID 146434338) is 4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NCCO)c([C@@H](C)c2ccccc2)o1.
What is the InChIKey of 4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The InChIKey is ZHBWEFYITNIJOW-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11(12-6-4-3-5-7-12)15-13(16(21)19-8-9-20)10-14(23-15)17(22)18-2/h3-7,10-11,20H,8-9H2,1-2H3,(H,18,22)(H,19,21)/t11-/m0/s1.
What are the key properties of 4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is sourced from PubChem (CID 146434338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).