N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide

C13H18N2O3 — CID 60682442

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide
SMILESCCNC(=O)C(C)NC(=O)c1cccc(C)c1O
InChIInChI=1S/C13H18N2O3/c1-4-14-12(17)9(3)15-13(18)10-7-5-6-8(2)11(10)16/h5-7,9,16H,4H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyQWLBPCQNPDEAIQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.96
Rot. Bonds4

About N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide

N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide (PubChem CID 60682442) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide
PubChem CID60682442
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide
SMILESCCNC(=O)C(C)NC(=O)c1cccc(C)c1O
InChIInChI=1S/C13H18N2O3/c1-4-14-12(17)9(3)15-13(18)10-7-5-6-8(2)11(10)16/h5-7,9,16H,4H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyQWLBPCQNPDEAIQ-UHFFFAOYSA-N
XLogP0.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.96
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
2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 39964889
2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 24709135
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide
CID 61119089
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 102705069
N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-2,3-dimethylbenzamide
CID 129480791
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 113304525
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 60709622
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 115664821
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 47112988
3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide
CID 107112937

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide (CID 60682442) is N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide is CCNC(=O)C(C)NC(=O)c1cccc(C)c1O.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide?
The InChIKey is QWLBPCQNPDEAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-14-12(17)9(3)15-13(18)10-7-5-6-8(2)11(10)16/h5-7,9,16H,4H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 60682442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).