benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium

C19H24N3O2+ — CID 8545371

IUPACbenzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
SMILESCC(C)NC(=O)NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14(2)21-19(24)22-17(23)13-20-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18,20H,13H2,1-2H3,(H2,21,22,23,24)/p+1
InChIKeyROWSJTSRGQPZAX-UHFFFAOYSA-O
MW326.42 g/mol
LogP1.57
Rot. Bonds6

About benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium

benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium (PubChem CID 8545371) has the molecular formula C19H24N3O2+ and a molecular weight of 326.42 g/mol. Its IUPAC name is benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium.

Molecular Properties

Compound Namebenzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
PubChem CID8545371
Molecular FormulaC19H24N3O2+
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Namebenzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
SMILESCC(C)NC(=O)NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14(2)21-19(24)22-17(23)13-20-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18,20H,13H2,1-2H3,(H2,21,22,23,24)/p+1
InChIKeyROWSJTSRGQPZAX-UHFFFAOYSA-O
XLogP1.57
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 8545445
benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium
CID 8000618
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8720126
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8720424
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8641149
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897926
benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium
CID 9445736
[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8923262
[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8834303
[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 8720398
benzhydryl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium
CID 8596761
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898048

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The IUPAC name of benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium (CID 8545371) is benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium.
What is the SMILES notation for benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The canonical SMILES for benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium is CC(C)NC(=O)NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The InChIKey is ROWSJTSRGQPZAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N3O2/c1-14(2)21-19(24)22-17(23)13-20-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18,20H,13H2,1-2H3,(H2,21,22,23,24)/p+1.
What are the key properties of benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium has a molecular weight of 326.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium is sourced from PubChem (CID 8545371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).