[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

C19H24N3O2+ — CID 8897914

IUPAC[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14(15-7-5-4-6-8-15)20-13-18(23)21-17-11-9-16(10-12-17)19(24)22(2)3/h4-12,14,20H,13H2,1-3H3,(H,21,23)/p+1/t14-/m1/s1
InChIKeyROCYBUBKDXQIRF-CQSZACIVSA-O
MW326.42 g/mol
LogP1.65
Rot. Bonds6

About [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (PubChem CID 8897914) has the molecular formula C19H24N3O2+ and a molecular weight of 326.42 g/mol. Its IUPAC name is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
PubChem CID8897914
Molecular FormulaC19H24N3O2+
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14(15-7-5-4-6-8-15)20-13-18(23)21-17-11-9-16(10-12-17)19(24)22(2)3/h4-12,14,20H,13H2,1-3H3,(H,21,23)/p+1/t14-/m1/s1
InChIKeyROCYBUBKDXQIRF-CQSZACIVSA-O
XLogP1.65
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium
CID 8898094
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
CID 8698353
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897553
N,N-dimethyl-4-(3-methylbutanoylamino)benzamide
CID 38105549
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 9031907
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132583
[2-(3,5-dichloroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2106406
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684071
benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium
CID 2443760
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132977
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (CID 8897914) is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1.
What is the InChIKey of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is ROCYBUBKDXQIRF-CQSZACIVSA-O. The full InChI is InChI=1S/C19H23N3O2/c1-14(15-7-5-4-6-8-15)20-13-18(23)21-17-11-9-16(10-12-17)19(24)22(2)3/h4-12,14,20H,13H2,1-3H3,(H,21,23)/p+1/t14-/m1/s1.
What are the key properties of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium has a molecular weight of 326.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 8897914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).