4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide

C22H28N2O4 — CID 146434133

IUPAC4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c([C@@H](C)c2cccc(C)c2)o1
InChIInChI=1S/C22H28N2O4/c1-13-5-4-6-15(11-13)14(2)20-18(12-19(28-20)22(27)23-3)21(26)24-16-7-9-17(25)10-8-16/h4-6,11-12,14,16-17,25H,7-10H2,1-3H3,(H,23,27)(H,24,26)/t14-,16?,17?/m0/s1
InChIKeyRJHUUWFVZAMSCI-OOHWJJMZSA-N
MW384.48 g/mol
LogP3.13
Rot. Bonds5

About 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide

4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide (PubChem CID 146434133) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide
PubChem CID146434133
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c([C@@H](C)c2cccc(C)c2)o1
InChIInChI=1S/C22H28N2O4/c1-13-5-4-6-15(11-13)14(2)20-18(12-19(28-20)22(27)23-3)21(26)24-16-7-9-17(25)10-8-16/h4-6,11-12,14,16-17,25H,7-10H2,1-3H3,(H,23,27)(H,24,26)/t14-,16?,17?/m0/s1
InChIKeyRJHUUWFVZAMSCI-OOHWJJMZSA-N
XLogP3.13
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.13
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-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide (CID 146434133) is 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c([C@@H](C)c2cccc(C)c2)o1.
What is the InChIKey of 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide?
The InChIKey is RJHUUWFVZAMSCI-OOHWJJMZSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-13-5-4-6-15(11-13)14(2)20-18(12-19(28-20)22(27)23-3)21(26)24-16-7-9-17(25)10-8-16/h4-6,11-12,14,16-17,25H,7-10H2,1-3H3,(H,23,27)(H,24,26)/t14-,16?,17?/m0/s1.
What are the key properties of 4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide?
4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.13, 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-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide is sourced from PubChem (CID 146434133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).