N-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide

C13H20N2O2 — CID 57321061

IUPACN-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C2CCC(N)CC2)o1
InChIInChI=1S/C13H20N2O2/c1-9(16)15-8-12-6-7-13(17-12)10-2-4-11(14)5-3-10/h6-7,10-11H,2-5,8,14H2,1H3,(H,15,16)
InChIKeyCCCIAUVBSHNGMD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.90
Rot. Bonds3

About N-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide

N-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide (PubChem CID 57321061) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide
PubChem CID57321061
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C2CCC(N)CC2)o1
InChIInChI=1S/C13H20N2O2/c1-9(16)15-8-12-6-7-13(17-12)10-2-4-11(14)5-3-10/h6-7,10-11H,2-5,8,14H2,1H3,(H,15,16)
InChIKeyCCCIAUVBSHNGMD-UHFFFAOYSA-N
XLogP1.90
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide 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-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide
CID 99978713
N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine
CID 106886992
N-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]ethyl]acetamide
CID 43182791
N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide
CID 97028510
N-[[5-[2-[[N'-(cyclohexylmethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10384861
N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
ethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate
CID 142461554
3-(5-cyclopentylfuran-2-yl)propanoic acid
CID 83820418
2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine
CID 83833926
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine
CID 62318504
methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 120994216

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide (CID 57321061) is N-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(C2CCC(N)CC2)o1.
What is the InChIKey of N-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide?
The InChIKey is CCCIAUVBSHNGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(16)15-8-12-6-7-13(17-12)10-2-4-11(14)5-3-10/h6-7,10-11H,2-5,8,14H2,1H3,(H,15,16).
What are the key properties of N-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide?
N-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide is sourced from PubChem (CID 57321061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).