benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium

C20H26N3O2+ — CID 8596519

IUPACbenzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
SMILESCCCNC(=O)CNC(=O)C[NH2+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-2-13-21-18(24)14-22-19(25)15-23-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,20,23H,2,13-15H2,1H3,(H,21,24)(H,22,25)/p+1
InChIKeyQJWSOGROATXYMA-UHFFFAOYSA-O
MW340.45 g/mol
LogP0.98
Rot. Bonds9

About benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium

benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium (PubChem CID 8596519) has the molecular formula C20H26N3O2+ and a molecular weight of 340.45 g/mol. Its IUPAC name is benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium.

Molecular Properties

Compound Namebenzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
PubChem CID8596519
Molecular FormulaC20H26N3O2+
Molecular Weight340.45 g/mol
Exact Mass340.20
IUPAC Namebenzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
SMILESCCCNC(=O)CNC(=O)C[NH2+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-2-13-21-18(24)14-22-19(25)15-23-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,20,23H,2,13-15H2,1H3,(H,21,24)(H,22,25)/p+1
InChIKeyQJWSOGROATXYMA-UHFFFAOYSA-O
XLogP0.98
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(S)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8641259
[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8830223
[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8869201
[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8869195
benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 8545445
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 8720398
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-yl]ethyl]azanium
CID 8641040
[(S)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-yl]ethyl]azanium
CID 8641033
3,3-diphenyl-N-propylpropanamide
CID 4638647
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (2R)-2-phenylbutanoate
CID 9229981
2-anilino-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119689818

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium?
The IUPAC name of benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium (CID 8596519) is benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium.
What is the SMILES notation for benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium?
The canonical SMILES for benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium is CCCNC(=O)CNC(=O)C[NH2+]C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium?
The InChIKey is QJWSOGROATXYMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O2/c1-2-13-21-18(24)14-22-19(25)15-23-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,20,23H,2,13-15H2,1H3,(H,21,24)(H,22,25)/p+1.
What are the key properties of benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium?
benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium has a molecular weight of 340.45 g/mol, XLogP of 0.98, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium is sourced from PubChem (CID 8596519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).