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

C23H30N2O6 — CID 146434339

IUPAC5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c(C(C)c2ccc(OC)c(OC)c2)o1
InChIInChI=1S/C23H30N2O6/c1-13(14-5-10-18(29-3)19(11-14)30-4)21-17(12-20(31-21)23(28)24-2)22(27)25-15-6-8-16(26)9-7-15/h5,10-13,15-16,26H,6-9H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyAFZQXSKNRJWEFS-UHFFFAOYSA-N
MW430.50 g/mol
LogP2.84
Rot. Bonds7

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

5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide (PubChem CID 146434339) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is 5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide.

Molecular Properties

Compound Name5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
PubChem CID146434339
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Name5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c(C(C)c2ccc(OC)c(OC)c2)o1
InChIInChI=1S/C23H30N2O6/c1-13(14-5-10-18(29-3)19(11-14)30-4)21-17(12-20(31-21)23(28)24-2)22(27)25-15-6-8-16(26)9-7-15/h5,10-13,15-16,26H,6-9H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyAFZQXSKNRJWEFS-UHFFFAOYSA-N
XLogP2.84
TPSA110.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
CID 146434248
2-[1-(3-chloro-4-methylphenyl)ethyl]-N-(4-hydroxycyclohexyl)-5-propanoylfuran-3-carboxamide
CID 163742577
N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide
CID 163550541
5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
CID 115277460
2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110437761
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311
N-cyclopropyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]acetamide
CID 78931618
N-cyclopropyl-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
CID 177158445
N-cyclopropyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416729
N-cyclopropyl-2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279426
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide?
The IUPAC name of 5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide (CID 146434339) is 5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide.
What is the SMILES notation for 5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide?
The canonical SMILES for 5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c(C(C)c2ccc(OC)c(OC)c2)o1.
What is the InChIKey of 5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide?
The InChIKey is AFZQXSKNRJWEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-13(14-5-10-18(29-3)19(11-14)30-4)21-17(12-20(31-21)23(28)24-2)22(27)25-15-6-8-16(26)9-7-15/h5,10-13,15-16,26H,6-9H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of 5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide?
5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide has a molecular weight of 430.50 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide is sourced from PubChem (CID 146434339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).