[2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium

C18H25FN3O2+ — CID 8910266

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NC1CC1)CC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H24FN3O2/c1-21(11-17(23)20-14-6-7-14)12-18(24)22(15-8-9-15)10-13-4-2-3-5-16(13)19/h2-5,14-15H,6-12H2,1H3,(H,20,23)/p+1
InChIKeyXNAGUYUWXVATHP-UHFFFAOYSA-O
MW334.41 g/mol
LogP0.11
Rot. Bonds8

About [2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium

[2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium (PubChem CID 8910266) has the molecular formula C18H25FN3O2+ and a molecular weight of 334.41 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium
PubChem CID8910266
Molecular FormulaC18H25FN3O2+
Molecular Weight334.41 g/mol
Exact Mass334.19
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NC1CC1)CC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H24FN3O2/c1-21(11-17(23)20-14-6-7-14)12-18(24)22(15-8-9-15)10-13-4-2-3-5-16(13)19/h2-5,14-15H,6-12H2,1H3,(H,20,23)/p+1
InChIKeyXNAGUYUWXVATHP-UHFFFAOYSA-O
XLogP0.11
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

N-cyclopropyl-3-(cyclopropylamino)-N-[(2-fluorophenyl)methyl]propanamide
CID 60936622
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 8683236
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide
CID 75402782
N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 27106314
N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide
CID 78911608
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 8910070
(2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8709235
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium (CID 8910266) is [2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NC1CC1)CC(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium?
The InChIKey is XNAGUYUWXVATHP-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24FN3O2/c1-21(11-17(23)20-14-6-7-14)12-18(24)22(15-8-9-15)10-13-4-2-3-5-16(13)19/h2-5,14-15H,6-12H2,1H3,(H,20,23)/p+1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium?
[2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium has a molecular weight of 334.41 g/mol, XLogP of 0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8910266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).