N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide

C23H27N3O3 — CID 143082216

IUPACN-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide
SMILESCC(C(=O)C1CCCCC1)C1=CCC=c2c(nc(NC(=O)c3ccco3)n2C)=C1
InChIInChI=1S/C23H27N3O3/c1-15(21(27)16-8-4-3-5-9-16)17-10-6-11-19-18(14-17)24-23(26(19)2)25-22(28)20-12-7-13-29-20/h7,10-16H,3-6,8-9H2,1-2H3,(H,24,25,28)
InChIKeyNTYRLNSAMYFTIN-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.94
Rot. Bonds5

About N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide

N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide (PubChem CID 143082216) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide
PubChem CID143082216
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide
SMILESCC(C(=O)C1CCCCC1)C1=CCC=c2c(nc(NC(=O)c3ccco3)n2C)=C1
InChIInChI=1S/C23H27N3O3/c1-15(21(27)16-8-4-3-5-9-16)17-10-6-11-19-18(14-17)24-23(26(19)2)25-22(28)20-12-7-13-29-20/h7,10-16H,3-6,8-9H2,1-2H3,(H,24,25,28)
InChIKeyNTYRLNSAMYFTIN-UHFFFAOYSA-N
XLogP2.94
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide
CID 11431838
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
N-[1-[cycloheptyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51287171
N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 86789673
N-cyclopentyloxyfuran-2-carboxamide
CID 83201943
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 1469985
N-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 43837396
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid
CID 120532925
N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide
CID 50824815
N-cyclooctylfuran-2-carboxamide
CID 790432
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide
CID 1272797

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide (CID 143082216) is N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide is CC(C(=O)C1CCCCC1)C1=CCC=c2c(nc(NC(=O)c3ccco3)n2C)=C1.
What is the InChIKey of N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide?
The InChIKey is NTYRLNSAMYFTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(21(27)16-8-4-3-5-9-16)17-10-6-11-19-18(14-17)24-23(26(19)2)25-22(28)20-12-7-13-29-20/h7,10-16H,3-6,8-9H2,1-2H3,(H,24,25,28).
What are the key properties of N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide?
N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 143082216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).