3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide

C14H22N2O2 — CID 63043755

IUPAC3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCCC(N)C2)o1
InChIInChI=1S/C14H22N2O2/c1-10-6-7-13(18-10)9-16(2)14(17)11-4-3-5-12(15)8-11/h6-7,11-12H,3-5,8-9,15H2,1-2H3
InChIKeyKYYXYEZZUOBVES-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.06
Rot. Bonds3

About 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide

3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 63043755) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID63043755
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCCC(N)C2)o1
InChIInChI=1S/C14H22N2O2/c1-10-6-7-13(18-10)9-16(2)14(17)11-4-3-5-12(15)8-11/h6-7,11-12H,3-5,8-9,15H2,1-2H3
InChIKeyKYYXYEZZUOBVES-UHFFFAOYSA-N
XLogP2.06
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119958218
3-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 66010634
(3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 94393772
3-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119681006
3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045904
3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681964
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 90650561
3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119717344
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045582
N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119956917
(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944233
3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide
CID 119891599

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide (CID 63043755) is 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide is Cc1ccc(CN(C)C(=O)C2CCCC(N)C2)o1.
What is the InChIKey of 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is KYYXYEZZUOBVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-6-7-13(18-10)9-16(2)14(17)11-4-3-5-12(15)8-11/h6-7,11-12H,3-5,8-9,15H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide?
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63043755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).