[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium

C20H25N2O2+ — CID 2453736

IUPAC[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESCc1ccc(NC(=O)[C@@H]([NH2+]C[C@@H]2CCCO2)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15-9-11-17(12-10-15)22-20(23)19(16-6-3-2-4-7-16)21-14-18-8-5-13-24-18/h2-4,6-7,9-12,18-19,21H,5,8,13-14H2,1H3,(H,22,23)/p+1/t18-,19-/m0/s1
InChIKeyNTFKDVRIEMNYBT-OALUTQOASA-O
MW325.43 g/mol
LogP2.42
Rot. Bonds6

About [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium

[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium (PubChem CID 2453736) has the molecular formula C20H25N2O2+ and a molecular weight of 325.43 g/mol. Its IUPAC name is [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium
PubChem CID2453736
Molecular FormulaC20H25N2O2+
Molecular Weight325.43 g/mol
Exact Mass325.19
IUPAC Name[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESCc1ccc(NC(=O)[C@@H]([NH2+]C[C@@H]2CCCO2)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15-9-11-17(12-10-15)22-20(23)19(16-6-3-2-4-7-16)21-14-18-8-5-13-24-18/h2-4,6-7,9-12,18-19,21H,5,8,13-14H2,1H3,(H,22,23)/p+1/t18-,19-/m0/s1
InChIKeyNTFKDVRIEMNYBT-OALUTQOASA-O
XLogP2.42
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium with MolForge

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Related Compounds

[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 2533764
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7870239
(2S)-4-(4-methylanilino)-4-oxo-2-[[(2S)-oxolan-2-yl]methylazaniumyl]butanoate
CID 7124251
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60638599
[(2S)-oxolan-2-yl]methyl-[(1S)-2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]azanium
CID 7031959
(2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide
CID 2442322
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
(2R)-4-(4-methylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 830003
2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 8515643
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 17147844
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide
CID 54815140

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium (CID 2453736) is [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium is Cc1ccc(NC(=O)[C@@H]([NH2+]C[C@@H]2CCCO2)c2ccccc2)cc1.
What is the InChIKey of [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The InChIKey is NTFKDVRIEMNYBT-OALUTQOASA-O. The full InChI is InChI=1S/C20H24N2O2/c1-15-9-11-17(12-10-15)22-20(23)19(16-6-3-2-4-7-16)21-14-18-8-5-13-24-18/h2-4,6-7,9-12,18-19,21H,5,8,13-14H2,1H3,(H,22,23)/p+1/t18-,19-/m0/s1.
What are the key properties of [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium has a molecular weight of 325.43 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 2453736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).