[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium

C23H24N3O2+ — CID 8641149

IUPAC[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
SMILESCc1ccc([C@H]([NH2+]CC(=O)NC(=O)Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O2/c1-17-12-14-19(15-13-17)22(18-8-4-2-5-9-18)24-16-21(27)26-23(28)25-20-10-6-3-7-11-20/h2-15,22,24H,16H2,1H3,(H2,25,26,27,28)/p+1/t22-/m1/s1
InChIKeyVCOGZICGYJPGAV-JOCHJYFZSA-O
MW374.46 g/mol
LogP3.00
Rot. Bonds6

About [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium

[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium (PubChem CID 8641149) has the molecular formula C23H24N3O2+ and a molecular weight of 374.46 g/mol. Its IUPAC name is [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium.

Molecular Properties

Compound Name[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
PubChem CID8641149
Molecular FormulaC23H24N3O2+
Molecular Weight374.46 g/mol
Exact Mass374.19
IUPAC Name[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
SMILESCc1ccc([C@H]([NH2+]CC(=O)NC(=O)Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O2/c1-17-12-14-19(15-13-17)22(18-8-4-2-5-9-18)24-16-21(27)26-23(28)25-20-10-6-3-7-11-20/h2-15,22,24H,16H2,1H3,(H2,25,26,27,28)/p+1/t22-/m1/s1
InChIKeyVCOGZICGYJPGAV-JOCHJYFZSA-O
XLogP3.00
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392775
[2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9393047
[2-(3-acetylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392545
benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium
CID 9445736
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9392931
benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8545371
benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 8545445
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392634
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8641344
[2-(benzylamino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392768
benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium
CID 8000618
[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391603

Frequently Asked Questions

What is the IUPAC name of [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium?
The IUPAC name of [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium (CID 8641149) is [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium.
What is the SMILES notation for [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium?
The canonical SMILES for [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium is Cc1ccc([C@H]([NH2+]CC(=O)NC(=O)Nc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium?
The InChIKey is VCOGZICGYJPGAV-JOCHJYFZSA-O. The full InChI is InChI=1S/C23H23N3O2/c1-17-12-14-19(15-13-17)22(18-8-4-2-5-9-18)24-16-21(27)26-23(28)25-20-10-6-3-7-11-20/h2-15,22,24H,16H2,1H3,(H2,25,26,27,28)/p+1/t22-/m1/s1.
What are the key properties of [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium?
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium has a molecular weight of 374.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium is sourced from PubChem (CID 8641149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).