[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium

C20H34N3O2+ — CID 8767340

IUPAC[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium
SMILESCc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H33N3O2/c1-13(2)16-11-9-10-14(3)18(16)21-19(25)15(4)23(8)12-17(24)22-20(5,6)7/h9-11,13,15H,12H2,1-8H3,(H,21,25)(H,22,24)/p+1/t15-/m0/s1
InChIKeyCBESQUJYWMCIPK-HNNXBMFYSA-O
MW348.51 g/mol
LogP1.87
Rot. Bonds6

About [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium (PubChem CID 8767340) has the molecular formula C20H34N3O2+ and a molecular weight of 348.51 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium
PubChem CID8767340
Molecular FormulaC20H34N3O2+
Molecular Weight348.51 g/mol
Exact Mass348.26
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium
SMILESCc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H33N3O2/c1-13(2)16-11-9-10-14(3)18(16)21-19(25)15(4)23(8)12-17(24)22-20(5,6)7/h9-11,13,15H,12H2,1-8H3,(H,21,25)(H,22,24)/p+1/t15-/m0/s1
InChIKeyCBESQUJYWMCIPK-HNNXBMFYSA-O
XLogP1.87
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8912939
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium
CID 8552613
methyl-[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 8550192
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium
CID 8555304
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 8767300
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium
CID 8767219
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 8767336
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide
CID 108951516
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium (CID 8767340) is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium is Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+](C)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium?
The InChIKey is CBESQUJYWMCIPK-HNNXBMFYSA-O. The full InChI is InChI=1S/C20H33N3O2/c1-13(2)16-11-9-10-14(3)18(16)21-19(25)15(4)23(8)12-17(24)22-20(5,6)7/h9-11,13,15H,12H2,1-8H3,(H,21,25)(H,22,24)/p+1/t15-/m0/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium has a molecular weight of 348.51 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 8767340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).