[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium

C21H34N3O2+ — CID 8911428

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium
SMILESCC(C)c1ccc([C@@H](NC(=O)C[NH+](C)CC(=O)NC2CC2)C(C)C)cc1
InChIInChI=1S/C21H33N3O2/c1-14(2)16-6-8-17(9-7-16)21(15(3)4)23-20(26)13-24(5)12-19(25)22-18-10-11-18/h6-9,14-15,18,21H,10-13H2,1-5H3,(H,22,25)(H,23,26)/p+1/t21-/m0/s1
InChIKeyTXVYCQWAUMZSSS-NRFANRHFSA-O
MW360.52 g/mol
LogP1.42
Rot. Bonds9

About [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium

[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium (PubChem CID 8911428) has the molecular formula C21H34N3O2+ and a molecular weight of 360.52 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium
PubChem CID8911428
Molecular FormulaC21H34N3O2+
Molecular Weight360.52 g/mol
Exact Mass360.26
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium
SMILESCC(C)c1ccc([C@@H](NC(=O)C[NH+](C)CC(=O)NC2CC2)C(C)C)cc1
InChIInChI=1S/C21H33N3O2/c1-14(2)16-6-8-17(9-7-16)21(15(3)4)23-20(26)13-24(5)12-19(25)22-18-10-11-18/h6-9,14-15,18,21H,10-13H2,1-5H3,(H,22,25)(H,23,26)/p+1/t21-/m0/s1
InChIKeyTXVYCQWAUMZSSS-NRFANRHFSA-O
XLogP1.42
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
CID 8911226
1-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(oxan-4-yl)urea
CID 129370926
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 8910070
N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide
CID 110353882
[2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 8911616
2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide
CID 60559744
4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119272369
[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9126045
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622767
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium
CID 8909551
2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 29230660

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium (CID 8911428) is [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium is CC(C)c1ccc([C@@H](NC(=O)C[NH+](C)CC(=O)NC2CC2)C(C)C)cc1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium?
The InChIKey is TXVYCQWAUMZSSS-NRFANRHFSA-O. The full InChI is InChI=1S/C21H33N3O2/c1-14(2)16-6-8-17(9-7-16)21(15(3)4)23-20(26)13-24(5)12-19(25)22-18-10-11-18/h6-9,14-15,18,21H,10-13H2,1-5H3,(H,22,25)(H,23,26)/p+1/t21-/m0/s1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium?
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium has a molecular weight of 360.52 g/mol, XLogP of 1.42, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8911428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).