ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium

C12H19N2O+ — CID 2443102

IUPACethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
SMILESCC[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C12H18N2O/c1-4-13-10(3)12(15)14-11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3,(H,14,15)/p+1/t10-/m0/s1
InChIKeyNWIGWRRGIBDVBP-JTQLQIEISA-O
MW207.30 g/mol
LogP0.91
Rot. Bonds4

About ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium

ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium (PubChem CID 2443102) has the molecular formula C12H19N2O+ and a molecular weight of 207.30 g/mol. Its IUPAC name is ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Nameethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
PubChem CID2443102
Molecular FormulaC12H19N2O+
Molecular Weight207.30 g/mol
Exact Mass207.15
IUPAC Nameethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
SMILESCC[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C12H18N2O/c1-4-13-10(3)12(15)14-11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3,(H,14,15)/p+1/t10-/m0/s1
InChIKeyNWIGWRRGIBDVBP-JTQLQIEISA-O
XLogP0.91
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl-[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
CID 2443104
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
N-(4-methylphenyl)-2-(propylamino)propanamide
CID 60638636
2-(diethylamino)-N-(4-methylphenyl)propanamide
CID 24843836
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
diethyl 2-[(4-methylphenyl)carbamoyl]propanedioate
CID 135030041
N,2-bis(4-methylphenyl)butanamide
CID 2750915
2-bromo-3-methyl-N-(4-methylphenyl)butanamide
CID 24690960
N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 115598404
2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide
CID 60647573
2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide
CID 103734805
2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide
CID 4227620

Frequently Asked Questions

What is the IUPAC name of ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium?
The IUPAC name of ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium (CID 2443102) is ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium is CC[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium?
The InChIKey is NWIGWRRGIBDVBP-JTQLQIEISA-O. The full InChI is InChI=1S/C12H18N2O/c1-4-13-10(3)12(15)14-11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3,(H,14,15)/p+1/t10-/m0/s1.
What are the key properties of ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium?
ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium has a molecular weight of 207.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 2443102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).