2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide

C20H25N3O2 — CID 39964889

IUPAC2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)[C@H](C)NC(=O)c1ccccc1Nc1cccc(C)c1C
InChIInChI=1S/C20H25N3O2/c1-5-21-19(24)15(4)22-20(25)16-10-6-7-11-18(16)23-17-12-8-9-13(2)14(17)3/h6-12,15,23H,5H2,1-4H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyBVUWJJCQFSFCEP-HNNXBMFYSA-N
MW339.44 g/mol
LogP3.30
Rot. Bonds6

About 2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide

2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 39964889) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID39964889
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)[C@H](C)NC(=O)c1ccccc1Nc1cccc(C)c1C
InChIInChI=1S/C20H25N3O2/c1-5-21-19(24)15(4)22-20(25)16-10-6-7-11-18(16)23-17-12-8-9-13(2)14(17)3/h6-12,15,23H,5H2,1-4H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyBVUWJJCQFSFCEP-HNNXBMFYSA-N
XLogP3.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide
CID 60682442
2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27743019
N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-2,3-dimethylbenzamide
CID 129480791
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 33275819
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 24683122
2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide
CID 60517557
2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 60552297
2-(2,3-dimethylanilino)-N-(2-fluorophenyl)benzamide
CID 18273886
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568929

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide (CID 39964889) is 2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide is CCNC(=O)[C@H](C)NC(=O)c1ccccc1Nc1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is BVUWJJCQFSFCEP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-21-19(24)15(4)22-20(25)16-10-6-7-11-18(16)23-17-12-8-9-13(2)14(17)3/h6-12,15,23H,5H2,1-4H3,(H,21,24)(H,22,25)/t15-/m0/s1.
What are the key properties of 2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 39964889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).