[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium

C21H23N2O+ — CID 9397161

IUPAC[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O/c1-16(19-13-7-11-18-10-5-6-12-20(18)19)22-15-21(24)23-14-17-8-3-2-4-9-17/h2-13,16,22H,14-15H2,1H3,(H,23,24)/p+1/t16-/m1/s1
InChIKeyJKPAJVDQGXMCNV-MRXNPFEDSA-O
MW319.43 g/mol
LogP2.78
Rot. Bonds6

About [2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium

[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium (PubChem CID 9397161) has the molecular formula C21H23N2O+ and a molecular weight of 319.43 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
PubChem CID9397161
Molecular FormulaC21H23N2O+
Molecular Weight319.43 g/mol
Exact Mass319.18
IUPAC Name[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O/c1-16(19-13-7-11-18-10-5-6-12-20(18)19)22-15-21(24)23-14-17-8-3-2-4-9-17/h2-13,16,22H,14-15H2,1H3,(H,23,24)/p+1/t16-/m1/s1
InChIKeyJKPAJVDQGXMCNV-MRXNPFEDSA-O
XLogP2.78
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396803
[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9396559
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397352
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 9306946
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396987
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397020
[2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397491
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397333
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397775
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 8717851
[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9396462
[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium
CID 9307031

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
The IUPAC name of [2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium (CID 9397161) is [2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium is C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
The InChIKey is JKPAJVDQGXMCNV-MRXNPFEDSA-O. The full InChI is InChI=1S/C21H22N2O/c1-16(19-13-7-11-18-10-5-6-12-20(18)19)22-15-21(24)23-14-17-8-3-2-4-9-17/h2-13,16,22H,14-15H2,1H3,(H,23,24)/p+1/t16-/m1/s1.
What are the key properties of [2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium has a molecular weight of 319.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium is sourced from PubChem (CID 9397161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).