N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide

C21H27NO3 — CID 717036

IUPACN-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)N(C)C3CCCCC3)o2)cc1C
InChIInChI=1S/C21H27NO3/c1-15-9-10-18(13-16(15)2)24-14-19-11-12-20(25-19)21(23)22(3)17-7-5-4-6-8-17/h9-13,17H,4-8,14H2,1-3H3
InChIKeyKLPZNVJWXDYAAO-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.88
Rot. Bonds5

About N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide

N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide (PubChem CID 717036) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide
PubChem CID717036
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)N(C)C3CCCCC3)o2)cc1C
InChIInChI=1S/C21H27NO3/c1-15-9-10-18(13-16(15)2)24-14-19-11-12-20(25-19)21(23)22(3)17-7-5-4-6-8-17/h9-13,17H,4-8,14H2,1-3H3
InChIKeyKLPZNVJWXDYAAO-UHFFFAOYSA-N
XLogP4.88
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide
CID 55772175
5-[(4-fluorophenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 119441155
5-[(3,4-dimethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19450857
5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride
CID 119444065
5-[(4-fluorophenoxy)methyl]-N-methyl-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119549878
N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide
CID 24817610
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
5-(2-amino-4-methoxyphenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide
CID 91679599
N,N-dimethyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39001167
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450842
N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005
N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 19458831

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide (CID 717036) is N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)N(C)C3CCCCC3)o2)cc1C.
What is the InChIKey of N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is KLPZNVJWXDYAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-15-9-10-18(13-16(15)2)24-14-19-11-12-20(25-19)21(23)22(3)17-7-5-4-6-8-17/h9-13,17H,4-8,14H2,1-3H3.
What are the key properties of N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide?
N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 717036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).