N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide

C22H27N3O2 — CID 90786943

IUPACN-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide
SMILESCNCC(NC(=O)c1ccc(-c2ccc3cc[nH]c3c2)o1)C1CCCCC1
InChIInChI=1S/C22H27N3O2/c1-23-14-19(15-5-3-2-4-6-15)25-22(26)21-10-9-20(27-21)17-8-7-16-11-12-24-18(16)13-17/h7-13,15,19,23-24H,2-6,14H2,1H3,(H,25,26)
InChIKeyGCZSERKSGRSSPB-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.33
Rot. Bonds6

About N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide

N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide (PubChem CID 90786943) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide
PubChem CID90786943
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide
SMILESCNCC(NC(=O)c1ccc(-c2ccc3cc[nH]c3c2)o1)C1CCCCC1
InChIInChI=1S/C22H27N3O2/c1-23-14-19(15-5-3-2-4-6-15)25-22(26)21-10-9-20(27-21)17-8-7-16-11-12-24-18(16)13-17/h7-13,15,19,23-24H,2-6,14H2,1H3,(H,25,26)
InChIKeyGCZSERKSGRSSPB-UHFFFAOYSA-N
XLogP4.33
TPSA70.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide
CID 90996167
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide
CID 70667111
5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 77185504
N-(1-cyclohexylpropyl)-1H-indole-5-carboxamide
CID 63718650
N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 74960677
5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 91216509
N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42570665
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]-4,5-dimethylfuran-2-carboxamide
CID 76807279
5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide
CID 75148133
N-(2-amino-1-cyclohexylethyl)-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 119589648
N-(1-cyclohexylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765034

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide?
The IUPAC name of N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide (CID 90786943) is N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide is CNCC(NC(=O)c1ccc(-c2ccc3cc[nH]c3c2)o1)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide?
The InChIKey is GCZSERKSGRSSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-23-14-19(15-5-3-2-4-6-15)25-22(26)21-10-9-20(27-21)17-8-7-16-11-12-24-18(16)13-17/h7-13,15,19,23-24H,2-6,14H2,1H3,(H,25,26).
What are the key properties of N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide?
N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide is sourced from PubChem (CID 90786943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).