3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide

C18H22N2O3 — CID 36939792

IUPAC3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C18H22N2O3/c1-13-5-6-15(14(2)10-13)7-8-17(21)20-12-18(22)19-11-16-4-3-9-23-16/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyVJJHFBYGDZMQMT-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.26
Rot. Bonds7

About 3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide

3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide (PubChem CID 36939792) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
PubChem CID36939792
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C18H22N2O3/c1-13-5-6-15(14(2)10-13)7-8-17(21)20-12-18(22)19-11-16-4-3-9-23-16/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyVJJHFBYGDZMQMT-UHFFFAOYSA-N
XLogP2.26
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide
CID 94812450
2-[[N'-[(2,4-dimethylphenyl)methyl]-N-ethylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 111937629
2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 18118941
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 24551010
N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9079684
2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide
CID 100597098
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 31638154
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
CID 24681693
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17034727
4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide
CID 124510383

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide (CID 36939792) is 3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide is Cc1ccc(CCC(=O)NCC(=O)NCc2ccco2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The InChIKey is VJJHFBYGDZMQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-5-6-15(14(2)10-13)7-8-17(21)20-12-18(22)19-11-16-4-3-9-23-16/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 36939792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).