[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium

C18H30N3O2+ — CID 8767377

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium
SMILESCCN(C(=O)[C@@H](C)[NH+](C)CC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-7-21(15-11-9-8-10-12-15)17(23)14(2)20(6)13-16(22)19-18(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,19,22)/p+1/t14-/m1/s1
InChIKeyMSLRMYWJHFBUGC-CQSZACIVSA-O
MW320.46 g/mol
LogP0.86
Rot. Bonds6

About [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium

[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium (PubChem CID 8767377) has the molecular formula C18H30N3O2+ and a molecular weight of 320.46 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium
PubChem CID8767377
Molecular FormulaC18H30N3O2+
Molecular Weight320.46 g/mol
Exact Mass320.23
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium
SMILESCCN(C(=O)[C@@H](C)[NH+](C)CC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-7-21(15-11-9-8-10-12-15)17(23)14(2)20(6)13-16(22)19-18(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,19,22)/p+1/t14-/m1/s1
InChIKeyMSLRMYWJHFBUGC-CQSZACIVSA-O
XLogP0.86
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 8793600
[2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8768622
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium
CID 8767219
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide
CID 79196237
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 8767336
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride
CID 119670324
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
[2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8767934
(2S)-N-ethyl-2-[[(2R)-1-methoxypropan-2-yl]amino]-N-phenylpropanamide
CID 95286080
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium (CID 8767377) is [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium is CCN(C(=O)[C@@H](C)[NH+](C)CC(=O)NC(C)(C)C)c1ccccc1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is MSLRMYWJHFBUGC-CQSZACIVSA-O. The full InChI is InChI=1S/C18H29N3O2/c1-7-21(15-11-9-8-10-12-15)17(23)14(2)20(6)13-16(22)19-18(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,19,22)/p+1/t14-/m1/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 320.46 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 8767377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).