[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium

C22H26N3O4+ — CID 9053504

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium
SMILESCOc1cc2c(cc1NC(=O)[C@@H](C)[NH+](C)CC(=O)NC1CC1)oc1ccccc12
InChIInChI=1S/C22H25N3O4/c1-13(25(2)12-21(26)23-14-8-9-14)22(27)24-17-11-19-16(10-20(17)28-3)15-6-4-5-7-18(15)29-19/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,23,26)(H,24,27)/p+1/t13-/m1/s1
InChIKeyFXUSNNDZDKLCEF-CYBMUJFWSA-O
MW396.47 g/mol
LogP1.71
Rot. Bonds7

About [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium

[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium (PubChem CID 9053504) has the molecular formula C22H26N3O4+ and a molecular weight of 396.47 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium
PubChem CID9053504
Molecular FormulaC22H26N3O4+
Molecular Weight396.47 g/mol
Exact Mass396.19
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium
SMILESCOc1cc2c(cc1NC(=O)[C@@H](C)[NH+](C)CC(=O)NC1CC1)oc1ccccc12
InChIInChI=1S/C22H25N3O4/c1-13(25(2)12-21(26)23-14-8-9-14)22(27)24-17-11-19-16(10-20(17)28-3)15-6-4-5-7-18(15)29-19/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,23,26)(H,24,27)/p+1/t13-/m1/s1
InChIKeyFXUSNNDZDKLCEF-CYBMUJFWSA-O
XLogP1.71
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium with MolForge

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Related Compounds

[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054812
N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
CID 86910638
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
(2R)-2-[2-(hydroxymethyl)anilino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2421462
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053228
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717571
(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2317955
(2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2462122
2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4780757
furan-2-ylmethyl-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylazanium
CID 9334151
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
2-(4-acetamidophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4805328

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium (CID 9053504) is [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium is COc1cc2c(cc1NC(=O)[C@@H](C)[NH+](C)CC(=O)NC1CC1)oc1ccccc12.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium?
The InChIKey is FXUSNNDZDKLCEF-CYBMUJFWSA-O. The full InChI is InChI=1S/C22H25N3O4/c1-13(25(2)12-21(26)23-14-8-9-14)22(27)24-17-11-19-16(10-20(17)28-3)15-6-4-5-7-18(15)29-19/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,23,26)(H,24,27)/p+1/t13-/m1/s1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium?
[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium has a molecular weight of 396.47 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 9053504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).