dimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium

C19H33N2O4+ — CID 2216664

IUPACdimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium
SMILESCCOc1cc(C(=O)NC[C@H](C)C[NH+](C)C)cc(OCC)c1OCC
InChIInChI=1S/C19H32N2O4/c1-7-23-16-10-15(11-17(24-8-2)18(16)25-9-3)19(22)20-12-14(4)13-21(5)6/h10-11,14H,7-9,12-13H2,1-6H3,(H,20,22)/p+1/t14-/m0/s1
InChIKeyJFTSDXAQGHVGIJ-AWEZNQCLSA-O
MW353.48 g/mol
LogP1.39
Rot. Bonds11

About dimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium

dimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium (PubChem CID 2216664) has the molecular formula C19H33N2O4+ and a molecular weight of 353.48 g/mol. Its IUPAC name is dimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium
PubChem CID2216664
Molecular FormulaC19H33N2O4+
Molecular Weight353.48 g/mol
Exact Mass353.24
IUPAC Namedimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium
SMILESCCOc1cc(C(=O)NC[C@H](C)C[NH+](C)C)cc(OCC)c1OCC
InChIInChI=1S/C19H32N2O4/c1-7-23-16-10-15(11-17(24-8-2)18(16)25-9-3)19(22)20-12-14(4)13-21(5)6/h10-11,14H,7-9,12-13H2,1-6H3,(H,20,22)/p+1/t14-/m0/s1
InChIKeyJFTSDXAQGHVGIJ-AWEZNQCLSA-O
XLogP1.39
TPSA61.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502348
N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide
CID 119527990
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 119996833
N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide
CID 756601
1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide
CID 70884498
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623404
3,4,5-triethoxy-N-[2-(furan-3-yl)ethyl]benzamide
CID 90558366
3-hydroxy-2-[(3,4,5-triethoxybenzoyl)amino]propanoic acid
CID 16773565
3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide
CID 55834203
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium?
The IUPAC name of dimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium (CID 2216664) is dimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium.
What is the SMILES notation for dimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium?
The canonical SMILES for dimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium is CCOc1cc(C(=O)NC[C@H](C)C[NH+](C)C)cc(OCC)c1OCC.
What is the InChIKey of dimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium?
The InChIKey is JFTSDXAQGHVGIJ-AWEZNQCLSA-O. The full InChI is InChI=1S/C19H32N2O4/c1-7-23-16-10-15(11-17(24-8-2)18(16)25-9-3)19(22)20-12-14(4)13-21(5)6/h10-11,14H,7-9,12-13H2,1-6H3,(H,20,22)/p+1/t14-/m0/s1.
What are the key properties of dimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium?
dimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium has a molecular weight of 353.48 g/mol, XLogP of 1.39, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium is sourced from PubChem (CID 2216664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).