5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide

C20H24N4O4 — CID 91216509

IUPAC5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(N)c(N=O)c2)o1)C1CCCCC1
InChIInChI=1S/C20H24N4O4/c1-22-20(26)18(12-5-3-2-4-6-12)23-19(25)17-10-9-16(28-17)13-7-8-14(21)15(11-13)24-27/h7-12,18H,2-6,21H2,1H3,(H,22,26)(H,23,25)
InChIKeyWRYPYNABQXCWFA-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.35
Rot. Bonds6

About 5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide

5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 91216509) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
PubChem CID91216509
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(N)c(N=O)c2)o1)C1CCCCC1
InChIInChI=1S/C20H24N4O4/c1-22-20(26)18(12-5-3-2-4-6-12)23-19(25)17-10-9-16(28-17)13-7-8-14(21)15(11-13)24-27/h7-12,18H,2-6,21H2,1H3,(H,22,26)(H,23,25)
InChIKeyWRYPYNABQXCWFA-UHFFFAOYSA-N
XLogP3.35
TPSA126.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 74960677
5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807256
5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807293
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide
CID 76807279
5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 77185504
N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide
CID 76807316
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide
CID 70667111
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 70226655
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide
CID 58492110
5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 149458434
5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide
CID 70669277
N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide
CID 70227282

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide (CID 91216509) is 5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide is CNC(=O)C(NC(=O)c1ccc(-c2ccc(N)c(N=O)c2)o1)C1CCCCC1.
What is the InChIKey of 5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is WRYPYNABQXCWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-22-20(26)18(12-5-3-2-4-6-12)23-19(25)17-10-9-16(28-17)13-7-8-14(21)15(11-13)24-27/h7-12,18H,2-6,21H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 91216509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).