[2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium

C23H25N2O+ — CID 8639948

IUPAC[2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@@H]([NH2+]CC(=O)N(C)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O/c1-18-13-15-20(16-14-18)23(19-9-5-3-6-10-19)24-17-22(26)25(2)21-11-7-4-8-12-21/h3-16,23-24H,17H2,1-2H3/p+1/t23-/m0/s1
InChIKeyNIMSZOIOTFBRLF-QHCPKHFHSA-O
MW345.47 g/mol
LogP3.31
Rot. Bonds6

About [2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium

[2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium (PubChem CID 8639948) has the molecular formula C23H25N2O+ and a molecular weight of 345.47 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
PubChem CID8639948
Molecular FormulaC23H25N2O+
Molecular Weight345.47 g/mol
Exact Mass345.20
IUPAC Name[2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@@H]([NH2+]CC(=O)N(C)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O/c1-18-13-15-20(16-14-18)23(19-9-5-3-6-10-19)24-17-22(26)25(2)21-11-7-4-8-12-21/h3-16,23-24H,17H2,1-2H3/p+1/t23-/m0/s1
InChIKeyNIMSZOIOTFBRLF-QHCPKHFHSA-O
XLogP3.31
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8866978
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640117
[2-(benzylamino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392768
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051390
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9392931
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8641149
benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9035467
N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 95899111
[(S)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8641259
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392634
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 8641105
[2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9393047

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium (CID 8639948) is [2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium is Cc1ccc([C@@H]([NH2+]CC(=O)N(C)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The InChIKey is NIMSZOIOTFBRLF-QHCPKHFHSA-O. The full InChI is InChI=1S/C23H24N2O/c1-18-13-15-20(16-14-18)23(19-9-5-3-6-10-19)24-17-22(26)25(2)21-11-7-4-8-12-21/h3-16,23-24H,17H2,1-2H3/p+1/t23-/m0/s1.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
[2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium has a molecular weight of 345.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium is sourced from PubChem (CID 8639948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).