N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide

C13H18N2O2 — CID 42908748

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccccc1C
InChIInChI=1S/C13H18N2O2/c1-4-14-12(16)10(3)15-13(17)11-8-6-5-7-9(11)2/h5-8,10H,4H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyHGUUTHSHUDTFPK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.25
Rot. Bonds4

About N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide

N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide (PubChem CID 42908748) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
PubChem CID42908748
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccccc1C
InChIInChI=1S/C13H18N2O2/c1-4-14-12(16)10(3)15-13(17)11-8-6-5-7-9(11)2/h5-8,10H,4H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyHGUUTHSHUDTFPK-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide
CID 60682442
2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 39964889
sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide
CID 156861333
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 102705069
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid
CID 60941467
N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-2,3-dimethylbenzamide
CID 129480791
N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide
CID 108574801
1-[(2-methylbenzoyl)amino]ethylphosphanide
CID 156861334
2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992853
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide (CID 42908748) is N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide is CCNC(=O)C(C)NC(=O)c1ccccc1C.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide?
The InChIKey is HGUUTHSHUDTFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-14-12(16)10(3)15-13(17)11-8-6-5-7-9(11)2/h5-8,10H,4H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 42908748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).