[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium

C20H32N3O3+ — CID 8795668

IUPAC[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
SMILESCC[NH+](CC(=O)N[C@H](Cc1ccccc1)C(C)=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H31N3O3/c1-6-23(14-19(26)22-20(3,4)5)13-18(25)21-17(15(2)24)12-16-10-8-7-9-11-16/h7-11,17H,6,12-14H2,1-5H3,(H,21,25)(H,22,26)/p+1/t17-/m1/s1
InChIKeyDKGRGFNRDOMUFT-QGZVFWFLSA-O
MW362.49 g/mol
LogP0.12
Rot. Bonds9

About [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium

[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium (PubChem CID 8795668) has the molecular formula C20H32N3O3+ and a molecular weight of 362.49 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
PubChem CID8795668
Molecular FormulaC20H32N3O3+
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
SMILESCC[NH+](CC(=O)N[C@H](Cc1ccccc1)C(C)=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H31N3O3/c1-6-23(14-19(26)22-20(3,4)5)13-18(25)21-17(15(2)24)12-16-10-8-7-9-11-16/h7-11,17H,6,12-14H2,1-5H3,(H,21,25)(H,22,26)/p+1/t17-/m1/s1
InChIKeyDKGRGFNRDOMUFT-QGZVFWFLSA-O
XLogP0.12
TPSA79.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium with MolForge

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Related Compounds

[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
CID 8794144
[2-(2-benzylsulfanylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
CID 9039366
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
CID 8799055
N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide
CID 134192634
(3S)-3-(hydroxyamino)-4-phenylbutan-2-one
CID 121371812
methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9338626
[2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907146
methyl 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]amino]-3-phenylpropanoate
CID 56827988
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide
CID 67616558
(2S)-N'-tert-butyl-2-(3-phenylpropanoylamino)pentanediamide
CID 118234452

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium (CID 8795668) is [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium is CC[NH+](CC(=O)N[C@H](Cc1ccccc1)C(C)=O)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium?
The InChIKey is DKGRGFNRDOMUFT-QGZVFWFLSA-O. The full InChI is InChI=1S/C20H31N3O3/c1-6-23(14-19(26)22-20(3,4)5)13-18(25)21-17(15(2)24)12-16-10-8-7-9-11-16/h7-11,17H,6,12-14H2,1-5H3,(H,21,25)(H,22,26)/p+1/t17-/m1/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium has a molecular weight of 362.49 g/mol, XLogP of 0.12, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium is sourced from PubChem (CID 8795668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).