cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide

C21H28N2O2 — CID 124738294

IUPACcis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(C)[C@@H]1CCC[C@H](C(=O)N(Cc2ccccc2)Cc2ccco2)C1
InChIInChI=1S/C21H28N2O2/c1-22(2)19-11-6-10-18(14-19)21(24)23(16-20-12-7-13-25-20)15-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-19H,6,10-11,14-16H2,1-2H3/t18-,19+/m0/s1
InChIKeyQSISUNZLICRMLP-RBUKOAKNSA-N
MW340.47 g/mol
LogP3.93
Rot. Bonds6

About cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide

cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 124738294) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID124738294
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Namecis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(C)[C@@H]1CCC[C@H](C(=O)N(Cc2ccccc2)Cc2ccco2)C1
InChIInChI=1S/C21H28N2O2/c1-22(2)19-11-6-10-18(14-19)21(24)23(16-20-12-7-13-25-20)15-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-19H,6,10-11,14-16H2,1-2H3/t18-,19+/m0/s1
InChIKeyQSISUNZLICRMLP-RBUKOAKNSA-N
XLogP3.93
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
trans-(1S,2S)-N-benzyl-N-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 94823542
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide
CID 4611642
N-benzyl-N-(furan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide
CID 3873675
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058293
N-benzyl-2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 55827745
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 3473537
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 4260122
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3556620
2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415
N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide
CID 42706156
N-benzyl-N-(furan-2-ylmethyl)-1,4-dithiane-2-carboxamide
CID 112761172

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide (CID 124738294) is cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide is CN(C)[C@@H]1CCC[C@H](C(=O)N(Cc2ccccc2)Cc2ccco2)C1.
What is the InChIKey of cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is QSISUNZLICRMLP-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-22(2)19-11-6-10-18(14-19)21(24)23(16-20-12-7-13-25-20)15-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-19H,6,10-11,14-16H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 124738294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).