N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide

C28H33N3O5 — CID 76807279

IUPACN-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(CNC(=O)c3cc(C)c(C)o3)cc2)o1)C1CCCCC1
InChIInChI=1S/C28H33N3O5/c1-17-15-24(35-18(17)2)26(32)30-16-19-9-11-20(12-10-19)22-13-14-23(36-22)27(33)31-25(28(34)29-3)21-7-5-4-6-8-21/h9-15,21,25H,4-8,16H2,1-3H3,(H,29,34)(H,30,32)(H,31,33)
InChIKeyFYJTUTMWAHIVPS-UHFFFAOYSA-N
MW491.59 g/mol
LogP4.51
Rot. Bonds8

About N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide

N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide (PubChem CID 76807279) has the molecular formula C28H33N3O5 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide
PubChem CID76807279
Molecular FormulaC28H33N3O5
Molecular Weight491.59 g/mol
Exact Mass491.24
IUPAC NameN-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(CNC(=O)c3cc(C)c(C)o3)cc2)o1)C1CCCCC1
InChIInChI=1S/C28H33N3O5/c1-17-15-24(35-18(17)2)26(32)30-16-19-9-11-20(12-10-19)22-13-14-23(36-22)27(33)31-25(28(34)29-3)21-7-5-4-6-8-21/h9-15,21,25H,4-8,16H2,1-3H3,(H,29,34)(H,30,32)(H,31,33)
InChIKeyFYJTUTMWAHIVPS-UHFFFAOYSA-N
XLogP4.51
TPSA113.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 74960677
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 70226655
5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807256
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 76807347
5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 91216509
N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide
CID 76807316
5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807293
N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide
CID 70227282
N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 70224698
5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide
CID 70669277
N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 70225462
5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide
CID 75148133

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide (CID 76807279) is N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide is CNC(=O)C(NC(=O)c1ccc(-c2ccc(CNC(=O)c3cc(C)c(C)o3)cc2)o1)C1CCCCC1.
What is the InChIKey of N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide?
The InChIKey is FYJTUTMWAHIVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5/c1-17-15-24(35-18(17)2)26(32)30-16-19-9-11-20(12-10-19)22-13-14-23(36-22)27(33)31-25(28(34)29-3)21-7-5-4-6-8-21/h9-15,21,25H,4-8,16H2,1-3H3,(H,29,34)(H,30,32)(H,31,33).
What are the key properties of N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide?
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 4.51, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 76807279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).