[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium

C20H28N3O2+ — CID 8767300

IUPAC[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@H](C(=O)Nc1cccc2ccccc12)[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H27N3O2/c1-14(23(5)13-18(24)22-20(2,3)4)19(25)21-17-12-8-10-15-9-6-7-11-16(15)17/h6-12,14H,13H2,1-5H3,(H,21,25)(H,22,24)/p+1/t14-/m1/s1
InChIKeyRTYXYUIJLOIBEF-CQSZACIVSA-O
MW342.46 g/mol
LogP1.60
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium (PubChem CID 8767300) has the molecular formula C20H28N3O2+ and a molecular weight of 342.46 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
PubChem CID8767300
Molecular FormulaC20H28N3O2+
Molecular Weight342.46 g/mol
Exact Mass342.22
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@H](C(=O)Nc1cccc2ccccc12)[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H27N3O2/c1-14(23(5)13-18(24)22-20(2,3)4)19(25)21-17-12-8-10-15-9-6-7-11-16(15)17/h6-12,14H,13H2,1-5H3,(H,21,25)(H,22,24)/p+1/t14-/m1/s1
InChIKeyRTYXYUIJLOIBEF-CQSZACIVSA-O
XLogP1.60
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium with MolForge

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium
CID 8767340
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 8767336
methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 9434038
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide
CID 2450964
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 8551611
2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 9327696
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 8767377
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8756671
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium (CID 8767300) is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium is C[C@H](C(=O)Nc1cccc2ccccc12)[NH+](C)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is RTYXYUIJLOIBEF-CQSZACIVSA-O. The full InChI is InChI=1S/C20H27N3O2/c1-14(23(5)13-18(24)22-20(2,3)4)19(25)21-17-12-8-10-15-9-6-7-11-16(15)17/h6-12,14H,13H2,1-5H3,(H,21,25)(H,22,24)/p+1/t14-/m1/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 342.46 g/mol, XLogP of 1.60, 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]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 8767300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).