benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium

C20H26N3O2+ — CID 8000618

IUPACbenzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium
SMILESCC(C)(C)NC(=O)NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)23-19(25)22-17(24)14-21-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18,21H,14H2,1-3H3,(H2,22,23,24,25)/p+1
InChIKeyGUROSDVNIDGXNA-UHFFFAOYSA-O
MW340.45 g/mol
LogP1.96
Rot. Bonds5

About benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium

benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 8000618) has the molecular formula C20H26N3O2+ and a molecular weight of 340.45 g/mol. Its IUPAC name is benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID8000618
Molecular FormulaC20H26N3O2+
Molecular Weight340.45 g/mol
Exact Mass340.20
IUPAC Namebenzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium
SMILESCC(C)(C)NC(=O)NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)23-19(25)22-17(24)14-21-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18,21H,14H2,1-3H3,(H2,22,23,24,25)/p+1
InChIKeyGUROSDVNIDGXNA-UHFFFAOYSA-O
XLogP1.96
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132137
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132135
benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 8545445
benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8545371
benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium
CID 8596761
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052120
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8641149
benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium
CID 9445736
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2565014
[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 8720398
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8720424
[(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
CID 8756495

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium (CID 8000618) is benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium is CC(C)(C)NC(=O)NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is GUROSDVNIDGXNA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O2/c1-20(2,3)23-19(25)22-17(24)14-21-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18,21H,14H2,1-3H3,(H2,22,23,24,25)/p+1.
What are the key properties of benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium?
benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 340.45 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8000618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).