benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium

C20H27N2O+ — CID 8596761

IUPACbenzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium
SMILESCCC(C)(C)NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-4-20(2,3)22-18(23)15-21-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,19,21H,4,15H2,1-3H3,(H,22,23)/p+1
InChIKeyPEEARRZQOAFQLA-UHFFFAOYSA-O
MW311.45 g/mol
LogP2.64
Rot. Bonds7

About benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium

benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium (PubChem CID 8596761) has the molecular formula C20H27N2O+ and a molecular weight of 311.45 g/mol. Its IUPAC name is benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium
PubChem CID8596761
Molecular FormulaC20H27N2O+
Molecular Weight311.45 g/mol
Exact Mass311.21
IUPAC Namebenzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium
SMILESCCC(C)(C)NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-4-20(2,3)22-18(23)15-21-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,19,21H,4,15H2,1-3H3,(H,22,23)/p+1
InChIKeyPEEARRZQOAFQLA-UHFFFAOYSA-O
XLogP2.64
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methylbutan-2-yl)-3,3-diphenylpropanamide
CID 1292106
benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium
CID 8000618
benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 8545445
benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8596519
benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8545371
2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61187307
2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 7700948
[2-(benzylamino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392768
benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium
CID 2443760
N-(2-methylbutan-2-yl)-2-[(2-methyl-2-phenylpropyl)amino]acetamide
CID 60976584
3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide
CID 80551789
N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide
CID 43113751

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium?
The IUPAC name of benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium (CID 8596761) is benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium.
What is the SMILES notation for benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium?
The canonical SMILES for benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium is CCC(C)(C)NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium?
The InChIKey is PEEARRZQOAFQLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O/c1-4-20(2,3)22-18(23)15-21-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,19,21H,4,15H2,1-3H3,(H,22,23)/p+1.
What are the key properties of benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium?
benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium has a molecular weight of 311.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8596761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).