N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide

C21H26N2O3 — CID 74960677

IUPACN-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(C)cc2)o1)C1CCCCC1
InChIInChI=1S/C21H26N2O3/c1-14-8-10-15(11-9-14)17-12-13-18(26-17)20(24)23-19(21(25)22-2)16-6-4-3-5-7-16/h8-13,16,19H,3-7H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMHKCJBOSTYYRLA-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.68
Rot. Bonds5

About N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide

N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide (PubChem CID 74960677) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
PubChem CID74960677
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(C)cc2)o1)C1CCCCC1
InChIInChI=1S/C21H26N2O3/c1-14-8-10-15(11-9-14)17-12-13-18(26-17)20(24)23-19(21(25)22-2)16-6-4-3-5-7-16/h8-13,16,19H,3-7H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMHKCJBOSTYYRLA-UHFFFAOYSA-N
XLogP3.68
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide (CID 74960677) is N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide is CNC(=O)C(NC(=O)c1ccc(-c2ccc(C)cc2)o1)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide?
The InChIKey is MHKCJBOSTYYRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-8-10-15(11-9-14)17-12-13-18(26-17)20(24)23-19(21(25)22-2)16-6-4-3-5-7-16/h8-13,16,19H,3-7H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide?
N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 74960677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).