[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium

C22H28N3O2+ — CID 9053407

IUPAC[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C22H27N3O2/c1-16(25(2)15-20(26)23-19-13-14-19)22(27)24-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3,(H,23,26)(H,24,27)/p+1/t16-/m1/s1
InChIKeyIUQVXVAUTQENJY-MRXNPFEDSA-O
MW366.49 g/mol
LogP1.07
Rot. Bonds8

About [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium

[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (PubChem CID 9053407) has the molecular formula C22H28N3O2+ and a molecular weight of 366.49 g/mol. Its IUPAC name is [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
PubChem CID9053407
Molecular FormulaC22H28N3O2+
Molecular Weight366.49 g/mol
Exact Mass366.22
IUPAC Name[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C22H27N3O2/c1-16(25(2)15-20(26)23-19-13-14-19)22(27)24-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3,(H,23,26)(H,24,27)/p+1/t16-/m1/s1
InChIKeyIUQVXVAUTQENJY-MRXNPFEDSA-O
XLogP1.07
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053228
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8559559
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8908981
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 9053196
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053319
[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 9053620
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053034
(2S)-2-(benzhydrylamino)-N-cyclopropylpropanamide
CID 7614348
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 8910070
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium
CID 9357098
[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-methylazanium
CID 8909380
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (CID 9053407) is [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+](C)CC(=O)NC1CC1.
What is the InChIKey of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The InChIKey is IUQVXVAUTQENJY-MRXNPFEDSA-O. The full InChI is InChI=1S/C22H27N3O2/c1-16(25(2)15-20(26)23-19-13-14-19)22(27)24-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3,(H,23,26)(H,24,27)/p+1/t16-/m1/s1.
What are the key properties of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium has a molecular weight of 366.49 g/mol, XLogP of 1.07, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9053407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).