4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide

C22H28N2O5 — CID 146434128

IUPAC4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c([C@@H](C)c2cccc(OC)c2)o1
InChIInChI=1S/C22H28N2O5/c1-13(14-5-4-6-17(11-14)28-3)20-18(12-19(29-20)22(27)23-2)21(26)24-15-7-9-16(25)10-8-15/h4-6,11-13,15-16,25H,7-10H2,1-3H3,(H,23,27)(H,24,26)/t13-,15?,16?/m0/s1
InChIKeyNORHRQQKUJVCJV-JEYLPNPQSA-N
MW400.48 g/mol
LogP2.83
Rot. Bonds6

About 4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide

4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide (PubChem CID 146434128) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide
PubChem CID146434128
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c([C@@H](C)c2cccc(OC)c2)o1
InChIInChI=1S/C22H28N2O5/c1-13(14-5-4-6-17(11-14)28-3)20-18(12-19(29-20)22(27)23-2)21(26)24-15-7-9-16(25)10-8-15/h4-6,11-13,15-16,25H,7-10H2,1-3H3,(H,23,27)(H,24,26)/t13-,15?,16?/m0/s1
InChIKeyNORHRQQKUJVCJV-JEYLPNPQSA-N
XLogP2.83
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide with MolForge

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Related Compounds

Furan-2-carboxamide deriv., 19
CID 44236905
2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434124
5-[(1S)-1-(2-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
CID 146434127
4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide
CID 146434133
4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434135
5-[(1S)-1-(3-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
CID 146434185
5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
CID 146434192
5-[(1S)-1-(3-fluorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
CID 146434211
2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide
CID 146434232
4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434260
4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434338
4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434341

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide (CID 146434128) is 4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c([C@@H](C)c2cccc(OC)c2)o1.
What is the InChIKey of 4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide?
The InChIKey is NORHRQQKUJVCJV-JEYLPNPQSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-13(14-5-4-6-17(11-14)28-3)20-18(12-19(29-20)22(27)23-2)21(26)24-15-7-9-16(25)10-8-15/h4-6,11-13,15-16,25H,7-10H2,1-3H3,(H,23,27)(H,24,26)/t13-,15?,16?/m0/s1.
What are the key properties of 4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide?
4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide has a molecular weight of 400.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide is sourced from PubChem (CID 146434128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).