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

C22H28N2O4 — CID 146434260

IUPAC4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(OC)CC2)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C22H28N2O4/c1-14(15-7-5-4-6-8-15)20-18(13-19(28-20)22(26)23-2)21(25)24-16-9-11-17(27-3)12-10-16/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,23,26)(H,24,25)/t14-,16?,17?/m0/s1
InChIKeyJUMIVXBFUOSHAD-OOHWJJMZSA-N
MW384.48 g/mol
LogP3.48
Rot. Bonds6

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

4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (PubChem CID 146434260) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
PubChem CID146434260
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(OC)CC2)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C22H28N2O4/c1-14(15-7-5-4-6-8-15)20-18(13-19(28-20)22(26)23-2)21(25)24-16-9-11-17(27-3)12-10-16/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,23,26)(H,24,25)/t14-,16?,17?/m0/s1
InChIKeyJUMIVXBFUOSHAD-OOHWJJMZSA-N
XLogP3.48
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (CID 146434260) is 4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC(OC)CC2)c([C@@H](C)c2ccccc2)o1.
What is the InChIKey of 4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The InChIKey is JUMIVXBFUOSHAD-OOHWJJMZSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14(15-7-5-4-6-8-15)20-18(13-19(28-20)22(26)23-2)21(25)24-16-9-11-17(27-3)12-10-16/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,23,26)(H,24,25)/t14-,16?,17?/m0/s1.
What are the key properties of 4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is sourced from PubChem (CID 146434260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).