N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide

C20H29NO2 — CID 46090243

IUPACN-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide
SMILESCC(C)(C)c1ccc2c(c1)CC(CNC(=O)C1CCCCC1)O2
InChIInChI=1S/C20H29NO2/c1-20(2,3)16-9-10-18-15(11-16)12-17(23-18)13-21-19(22)14-7-5-4-6-8-14/h9-11,14,17H,4-8,12-13H2,1-3H3,(H,21,22)
InChIKeyCVZSZUPHLNKNJJ-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.98
Rot. Bonds3

About N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide

N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide (PubChem CID 46090243) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide
PubChem CID46090243
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC NameN-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide
SMILESCC(C)(C)c1ccc2c(c1)CC(CNC(=O)C1CCCCC1)O2
InChIInChI=1S/C20H29NO2/c1-20(2,3)16-9-10-18-15(11-16)12-17(23-18)13-21-19(22)14-7-5-4-6-8-14/h9-11,14,17H,4-8,12-13H2,1-3H3,(H,21,22)
InChIKeyCVZSZUPHLNKNJJ-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide
CID 46090223
(E)-N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide
CID 46090240
N-[2-[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclohexanecarboxamide
CID 111949943
tert-butyl N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate
CID 163335584
N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxane-4-carboxamide
CID 42190190
1-butanoyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carboxamide
CID 47065746
(3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide
CID 94648221
(2S)-1-methyl-N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-2-carboxamide
CID 124751640
4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92756967
(4S)-2,2-dimethyl-N-[[(2R)-5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxane-4-carboxamide
CID 26274792
N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide
CID 97180814
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2-methylpropanoic acid
CID 66361597

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide (CID 46090243) is N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide is CC(C)(C)c1ccc2c(c1)CC(CNC(=O)C1CCCCC1)O2.
What is the InChIKey of N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide?
The InChIKey is CVZSZUPHLNKNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-20(2,3)16-9-10-18-15(11-16)12-17(23-18)13-21-19(22)14-7-5-4-6-8-14/h9-11,14,17H,4-8,12-13H2,1-3H3,(H,21,22).
What are the key properties of N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide?
N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 46090243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).