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

C21H26N2O4 — CID 146434124

IUPAC4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C21H26N2O4/c1-13(14-6-4-3-5-7-14)19-17(12-18(27-19)21(26)22-2)20(25)23-15-8-10-16(24)11-9-15/h3-7,12-13,15-16,24H,8-11H2,1-2H3,(H,22,26)(H,23,25)/t13-,15?,16?/m0/s1
InChIKeyBRAMSTZRKUJRKS-JEYLPNPQSA-N
MW370.45 g/mol
LogP2.82
Rot. Bonds5

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

4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (PubChem CID 146434124) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
PubChem CID146434124
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C21H26N2O4/c1-13(14-6-4-3-5-7-14)19-17(12-18(27-19)21(26)22-2)20(25)23-15-8-10-16(24)11-9-15/h3-7,12-13,15-16,24H,8-11H2,1-2H3,(H,22,26)(H,23,25)/t13-,15?,16?/m0/s1
InChIKeyBRAMSTZRKUJRKS-JEYLPNPQSA-N
XLogP2.82
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (CID 146434124) is 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c([C@@H](C)c2ccccc2)o1.
What is the InChIKey of 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The InChIKey is BRAMSTZRKUJRKS-JEYLPNPQSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-13(14-6-4-3-5-7-14)19-17(12-18(27-19)21(26)22-2)20(25)23-15-8-10-16(24)11-9-15/h3-7,12-13,15-16,24H,8-11H2,1-2H3,(H,22,26)(H,23,25)/t13-,15?,16?/m0/s1.
What are the key properties of 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is sourced from PubChem (CID 146434124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).