benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium

C18H22N3O2+ — CID 8545445

IUPACbenzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
SMILESCCNC(=O)NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-2-19-18(23)21-16(22)13-20-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17,20H,2,13H2,1H3,(H2,19,21,22,23)/p+1
InChIKeyZBRGHNLDKVJLCB-UHFFFAOYSA-O
MW312.39 g/mol
LogP1.19
Rot. Bonds6

About benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium

benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 8545445) has the molecular formula C18H22N3O2+ and a molecular weight of 312.39 g/mol. Its IUPAC name is benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID8545445
Molecular FormulaC18H22N3O2+
Molecular Weight312.39 g/mol
Exact Mass312.17
IUPAC Namebenzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
SMILESCCNC(=O)NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-2-19-18(23)21-16(22)13-20-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17,20H,2,13H2,1H3,(H2,19,21,22,23)/p+1
InChIKeyZBRGHNLDKVJLCB-UHFFFAOYSA-O
XLogP1.19
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8545371
benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium
CID 8000618
[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 8720398
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8641149
[2-(butylcarbamoylamino)-2-oxoethyl]-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8830996
benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium
CID 9445736
benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8596519
[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9132326
benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium
CID 8596761
[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
[(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 9263277

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium (CID 8545445) is benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium is CCNC(=O)NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is ZBRGHNLDKVJLCB-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21N3O2/c1-2-19-18(23)21-16(22)13-20-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17,20H,2,13H2,1H3,(H2,19,21,22,23)/p+1.
What are the key properties of benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium?
benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 312.39 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8545445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).