N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide

C16H19NO2 — CID 17327235

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc(C)o2)c1
InChIInChI=1S/C16H19NO2/c1-10-5-6-11(2)14(9-10)13(4)17-16(18)15-8-7-12(3)19-15/h5-9,13H,1-4H3,(H,17,18)
InChIKeyMTIVKGSLCLBDKG-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.70
Rot. Bonds3

About N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide

N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide (PubChem CID 17327235) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide
PubChem CID17327235
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc(C)o2)c1
InChIInChI=1S/C16H19NO2/c1-10-5-6-11(2)14(9-10)13(4)17-16(18)15-8-7-12(3)19-15/h5-9,13H,1-4H3,(H,17,18)
InChIKeyMTIVKGSLCLBDKG-UHFFFAOYSA-N
XLogP3.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 112764235
N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 53281445
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
N-[1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 4878419
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 2452836
(Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 27493123
N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 6468570
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 1225343
2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 841018

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide (CID 17327235) is N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide is Cc1ccc(C)c(C(C)NC(=O)c2ccc(C)o2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide?
The InChIKey is MTIVKGSLCLBDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-5-6-11(2)14(9-10)13(4)17-16(18)15-8-7-12(3)19-15/h5-9,13H,1-4H3,(H,17,18).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide?
N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 17327235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).