[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium

C18H36N3O2+ — CID 11933094

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)[C@@H](C)[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H35N3O2/c1-12-9-8-10-15(13(12)2)19-17(23)14(3)21(7)11-16(22)20-18(4,5)6/h12-15H,8-11H2,1-7H3,(H,19,23)(H,20,22)/p+1/t12-,13+,14+,15+/m0/s1
InChIKeyANZYFFDNLHGKNG-GBJTYRQASA-O
MW326.51 g/mol
LogP0.75
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium

[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium (PubChem CID 11933094) has the molecular formula C18H36N3O2+ and a molecular weight of 326.51 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium
PubChem CID11933094
Molecular FormulaC18H36N3O2+
Molecular Weight326.51 g/mol
Exact Mass326.28
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)[C@@H](C)[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H35N3O2/c1-12-9-8-10-15(13(12)2)19-17(23)14(3)21(7)11-16(22)20-18(4,5)6/h12-15H,8-11H2,1-7H3,(H,19,23)(H,20,22)/p+1/t12-,13+,14+,15+/m0/s1
InChIKeyANZYFFDNLHGKNG-GBJTYRQASA-O
XLogP0.75
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium with MolForge

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Launch Full Analysis

Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 11933092
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 11933678
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium
CID 8767382
4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496143
1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea
CID 115569990
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
CID 9252943
methyl-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9286383
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide
CID 60648714
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
CID 9036627
methyl-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197570
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide
CID 79025321

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium (CID 11933094) is [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium is C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)[C@@H](C)[NH+](C)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium?
The InChIKey is ANZYFFDNLHGKNG-GBJTYRQASA-O. The full InChI is InChI=1S/C18H35N3O2/c1-12-9-8-10-15(13(12)2)19-17(23)14(3)21(7)11-16(22)20-18(4,5)6/h12-15H,8-11H2,1-7H3,(H,19,23)(H,20,22)/p+1/t12-,13+,14+,15+/m0/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium has a molecular weight of 326.51 g/mol, XLogP of 0.75, 5 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]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 11933094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).