[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium

C17H28N3O2+ — CID 9132135

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
SMILESCC(C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H27N3O2/c1-12(2)15(13-9-7-6-8-10-13)18-11-14(21)19-16(22)20-17(3,4)5/h6-10,12,15,18H,11H2,1-5H3,(H2,19,20,21,22)/p+1/t15-/m0/s1
InChIKeyAXRMHFFRVMWQGF-HNNXBMFYSA-O
MW306.43 g/mol
LogP1.57
Rot. Bonds5

About [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium

[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium (PubChem CID 9132135) has the molecular formula C17H28N3O2+ and a molecular weight of 306.43 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
PubChem CID9132135
Molecular FormulaC17H28N3O2+
Molecular Weight306.43 g/mol
Exact Mass306.22
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
SMILESCC(C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H27N3O2/c1-12(2)15(13-9-7-6-8-10-13)18-11-14(21)19-16(22)20-17(3,4)5/h6-10,12,15,18H,11H2,1-5H3,(H2,19,20,21,22)/p+1/t15-/m0/s1
InChIKeyAXRMHFFRVMWQGF-HNNXBMFYSA-O
XLogP1.57
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132137
benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium
CID 8000618
[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9132326
[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9131705
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132199
[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9133436
[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131816
[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8923262
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131551
[2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131601
[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8834303
[2-(3,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131666

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium (CID 9132135) is [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium is CC(C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccccc1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
The InChIKey is AXRMHFFRVMWQGF-HNNXBMFYSA-O. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)15(13-9-7-6-8-10-13)18-11-14(21)19-16(22)20-17(3,4)5/h6-10,12,15,18H,11H2,1-5H3,(H2,19,20,21,22)/p+1/t15-/m0/s1.
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium has a molecular weight of 306.43 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium is sourced from PubChem (CID 9132135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).