2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide

C20H24N2O3 — CID 9297715

IUPAC2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1c(C)cccc1C
InChIInChI=1S/C20H24N2O3/c1-5-21-20(24)16-11-6-7-12-17(16)22-19(23)15(4)25-18-13(2)9-8-10-14(18)3/h6-12,15H,5H2,1-4H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyLFRRITNICAYVAB-HNNXBMFYSA-N
MW340.42 g/mol
LogP3.46
Rot. Bonds6

About 2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide

2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide (PubChem CID 9297715) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide
PubChem CID9297715
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1c(C)cccc1C
InChIInChI=1S/C20H24N2O3/c1-5-21-20(24)16-11-6-7-12-17(16)22-19(23)15(4)25-18-13(2)9-8-10-14(18)3/h6-12,15H,5H2,1-4H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyLFRRITNICAYVAB-HNNXBMFYSA-N
XLogP3.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
CID 17151271
N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide
CID 9297462
(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297165
2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 4958532
N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 9297840
N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
CID 4958547
2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-(3-methoxypropyl)benzamide
CID 92646261
2-(2,6-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 4958548
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide
CID 17202534
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
CID 42906301

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide?
The IUPAC name of 2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide (CID 9297715) is 2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide?
The canonical SMILES for 2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide is CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1c(C)cccc1C.
What is the InChIKey of 2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide?
The InChIKey is LFRRITNICAYVAB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-21-20(24)16-11-6-7-12-17(16)22-19(23)15(4)25-18-13(2)9-8-10-14(18)3/h6-12,15H,5H2,1-4H3,(H,21,24)(H,22,23)/t15-/m0/s1.
What are the key properties of 2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide?
2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 9297715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).