5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide

C23H27N3O4 — CID 75148133

IUPAC5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCOCCNC(=O)C(NC(=O)c1ccc(-c2ccc(C#N)cc2)o1)C1CCCCC1
InChIInChI=1S/C23H27N3O4/c1-29-14-13-25-23(28)21(18-5-3-2-4-6-18)26-22(27)20-12-11-19(30-20)17-9-7-16(15-24)8-10-17/h7-12,18,21H,2-6,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyUZCVTXYFJJHCCB-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.26
Rot. Bonds8

About 5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide

5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 75148133) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide
PubChem CID75148133
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCOCCNC(=O)C(NC(=O)c1ccc(-c2ccc(C#N)cc2)o1)C1CCCCC1
InChIInChI=1S/C23H27N3O4/c1-29-14-13-25-23(28)21(18-5-3-2-4-6-18)26-22(27)20-12-11-19(30-20)17-9-7-16(15-24)8-10-17/h7-12,18,21H,2-6,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyUZCVTXYFJJHCCB-UHFFFAOYSA-N
XLogP3.26
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807256
N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 74960677
5-(5-chloro-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide;5-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(2-hydroxypropylamino)-2-oxoethyl]furan-2-carboxamide;5-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide;5-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methoxyphenyl)furan-2-carboxamide;methyl 2-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]acetate
CID 160960162
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide
CID 76807279
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 70226655
5-(4-cyanophenyl)furan-2-carbohydrazide
CID 91684313
N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide
CID 58505373
5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807293
2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide
CID 58505513
5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 91216509
4-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide
CID 46207023
5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide
CID 70669277

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide (CID 75148133) is 5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide is COCCNC(=O)C(NC(=O)c1ccc(-c2ccc(C#N)cc2)o1)C1CCCCC1.
What is the InChIKey of 5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is UZCVTXYFJJHCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-29-14-13-25-23(28)21(18-5-3-2-4-6-18)26-22(27)20-12-11-19(30-20)17-9-7-16(15-24)8-10-17/h7-12,18,21H,2-6,13-14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide?
5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 75148133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).