2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide

C16H19NO2 — CID 2932803

IUPAC2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H19NO2/c1-10-5-7-14(8-6-10)12(3)17-16(18)15-9-11(2)19-13(15)4/h5-9,12H,1-4H3,(H,17,18)
InChIKeyFBPAXWNTVGOTLM-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.70
Rot. Bonds3

About 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide

2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide (PubChem CID 2932803) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
PubChem CID2932803
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H19NO2/c1-10-5-7-14(8-6-10)12(3)17-16(18)15-9-11(2)19-13(15)4/h5-9,12H,1-4H3,(H,17,18)
InChIKeyFBPAXWNTVGOTLM-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

Furmecyclox
CID 43359
3-(5-methyl-2-furyl)-N-(2-phenylethyl)acrylamide
CID 874587
4-[(5-Isobutyl-2-methyl-furan-3-carbonyl)-amino]-butyric acid
CID 2932477
[(1R)-1-[[(2S)-2-(furan-3-carbonylamino)-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
CID 24861285
N-Benzyl-3-(5-methyl-furan-2-yl)-propionamide
CID 827173
(4-Benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 1245621
(2,5-Dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 4573434
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4788144
N-(1-Benzyl-propyl)-3-furan-2-yl-acrylamide
CID 5762726
3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone
CID 18108187
N-benzyl-2-methylfuran-3-carboxamide
CID 690372
2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide
CID 1292163

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide (CID 2932803) is 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide is Cc1ccc(C(C)NC(=O)c2cc(C)oc2C)cc1.
What is the InChIKey of 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide?
The InChIKey is FBPAXWNTVGOTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-5-7-14(8-6-10)12(3)17-16(18)15-9-11(2)19-13(15)4/h5-9,12H,1-4H3,(H,17,18).
What are the key properties of 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-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 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 2932803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).