3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide

C18H23NO2 — CID 51329039

IUPAC3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
SMILESCc1ccc(CCC(=O)NC(C)c2ccc(C)o2)c(C)c1
InChIInChI=1S/C18H23NO2/c1-12-5-7-16(13(2)11-12)8-10-18(20)19-15(4)17-9-6-14(3)21-17/h5-7,9,11,15H,8,10H2,1-4H3,(H,19,20)
InChIKeyKBXZVHCFDKYDEN-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.01
Rot. Bonds5

About 3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide

3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide (PubChem CID 51329039) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
PubChem CID51329039
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
SMILESCc1ccc(CCC(=O)NC(C)c2ccc(C)o2)c(C)c1
InChIInChI=1S/C18H23NO2/c1-12-5-7-16(13(2)11-12)8-10-18(20)19-15(4)17-9-6-14(3)21-17/h5-7,9,11,15H,8,10H2,1-4H3,(H,19,20)
InChIKeyKBXZVHCFDKYDEN-UHFFFAOYSA-N
XLogP4.01
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 134046801
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 43697661
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120507266
3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645511
(2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide
CID 94812450
3-(4-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51187923
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide
CID 37012024
ethyl 4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoate
CID 60660991
N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 51314573
2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 47025995
2-(4-fluorophenyl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51922977

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide (CID 51329039) is 3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide is Cc1ccc(CCC(=O)NC(C)c2ccc(C)o2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
The InChIKey is KBXZVHCFDKYDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-5-7-16(13(2)11-12)8-10-18(20)19-15(4)17-9-6-14(3)21-17/h5-7,9,11,15H,8,10H2,1-4H3,(H,19,20).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide has a molecular weight of 285.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide is sourced from PubChem (CID 51329039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).