N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide

C16H25NO2 — CID 27459810

IUPACN-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)o1
InChIInChI=1S/C16H25NO2/c1-11-9-10-14(19-11)15(18)17-13-8-6-5-7-12(13)16(2,3)4/h9-10,12-13H,5-8H2,1-4H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyNFMWRTSTDGZMMI-STQMWFEESA-N
MW263.38 g/mol
LogP3.92
Rot. Bonds2

About N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide

N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide (PubChem CID 27459810) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide
PubChem CID27459810
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)o1
InChIInChI=1S/C16H25NO2/c1-11-9-10-14(19-11)15(18)17-13-8-6-5-7-12(13)16(2,3)4/h9-10,12-13H,5-8H2,1-4H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyNFMWRTSTDGZMMI-STQMWFEESA-N
XLogP3.92
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide 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-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide
CID 27451326
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450
N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
CID 62956749
N-[2-(hydroxymethyl)cyclopentyl]-5-methylfuran-2-carboxamide
CID 103759065
N-(2-cyanocyclopentyl)-5-methylfuran-2-carboxamide
CID 62961798
N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide
CID 17060539
4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide
CID 102851083
4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66223779
N-(2-tert-butylcyclohexyl)-4-iodobenzamide
CID 63525981
4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide
CID 43699383
N-(2-tert-butylcyclohexyl)-3-methoxybenzamide
CID 17146888
1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83214662

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide (CID 27459810) is N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)o1.
What is the InChIKey of N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide?
The InChIKey is NFMWRTSTDGZMMI-STQMWFEESA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-9-10-14(19-11)15(18)17-13-8-6-5-7-12(13)16(2,3)4/h9-10,12-13H,5-8H2,1-4H3,(H,17,18)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide?
N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 27459810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).