[2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium

C20H26N3O3+ — CID 8712180

IUPAC[2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium
SMILESC[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+](C)CC(=O)N(C)C
InChIInChI=1S/C20H25N3O3/c1-15(23(4)14-19(24)22(2)3)20(25)21-16-10-12-18(13-11-16)26-17-8-6-5-7-9-17/h5-13,15H,14H2,1-4H3,(H,21,25)/p+1/t15-/m0/s1
InChIKeyIDLSQYCYDKGCRX-HNNXBMFYSA-O
MW356.45 g/mol
LogP1.41
Rot. Bonds7

About [2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium

[2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium (PubChem CID 8712180) has the molecular formula C20H26N3O3+ and a molecular weight of 356.45 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium
PubChem CID8712180
Molecular FormulaC20H26N3O3+
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name[2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium
SMILESC[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+](C)CC(=O)N(C)C
InChIInChI=1S/C20H25N3O3/c1-15(23(4)14-19(24)22(2)3)20(25)21-16-10-12-18(13-11-16)26-17-8-6-5-7-9-17/h5-13,15H,14H2,1-4H3,(H,21,25)/p+1/t15-/m0/s1
InChIKeyIDLSQYCYDKGCRX-HNNXBMFYSA-O
XLogP1.41
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium with MolForge

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Related Compounds

[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712160
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712162
(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
CID 7830436
benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274599
(2S)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731527
(2R)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731528
2-bromo-N-(4-phenoxyphenyl)butanamide
CID 63463042
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
CID 875522
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949676
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 7838042
(2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide
CID 8771908

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium (CID 8712180) is [2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium is C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+](C)CC(=O)N(C)C.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium?
The InChIKey is IDLSQYCYDKGCRX-HNNXBMFYSA-O. The full InChI is InChI=1S/C20H25N3O3/c1-15(23(4)14-19(24)22(2)3)20(25)21-16-10-12-18(13-11-16)26-17-8-6-5-7-9-17/h5-13,15H,14H2,1-4H3,(H,21,25)/p+1/t15-/m0/s1.
What are the key properties of [2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium?
[2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium has a molecular weight of 356.45 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium is sourced from PubChem (CID 8712180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).