(2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide

C19H24N2O3 — CID 94812450

IUPAC(2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(CCC(=O)N[C@H](C)C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C19H24N2O3/c1-13-6-7-16(14(2)11-13)8-9-18(22)21-15(3)19(23)20-12-17-5-4-10-24-17/h4-7,10-11,15H,8-9,12H2,1-3H3,(H,20,23)(H,21,22)/t15-/m1/s1
InChIKeyLSSCEFVYKLQGJY-OAHLLOKOSA-N
MW328.41 g/mol
LogP2.65
Rot. Bonds7

About (2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide

(2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 94812450) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide
PubChem CID94812450
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(CCC(=O)N[C@H](C)C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C19H24N2O3/c1-13-6-7-16(14(2)11-13)8-9-18(22)21-15(3)19(23)20-12-17-5-4-10-24-17/h4-7,10-11,15H,8-9,12H2,1-3H3,(H,20,23)(H,21,22)/t15-/m1/s1
InChIKeyLSSCEFVYKLQGJY-OAHLLOKOSA-N
XLogP2.65
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 36939792
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide
CID 110348322
2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide
CID 100597098
2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088873
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 3262204
2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 75871769
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
N-(furan-2-ylmethyl)-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 51096389
2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide
CID 47035846
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120507266
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide (CID 94812450) is (2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide is Cc1ccc(CCC(=O)N[C@H](C)C(=O)NCc2ccco2)c(C)c1.
What is the InChIKey of (2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is LSSCEFVYKLQGJY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-6-7-16(14(2)11-13)8-9-18(22)21-15(3)19(23)20-12-17-5-4-10-24-17/h4-7,10-11,15H,8-9,12H2,1-3H3,(H,20,23)(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide?
(2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 328.41 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 94812450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).