trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium

C19H33N2O+ — CID 10274425

IUPACtrimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NCCC[N+](C)(C)C)cc1
InChIInChI=1S/C19H32N2O/c1-15(2)14-17-8-10-18(11-9-17)16(3)19(22)20-12-7-13-21(4,5)6/h8-11,15-16H,7,12-14H2,1-6H3/p+1/t16-/m1/s1
InChIKeyCTNJKUQEEPJEIS-MRXNPFEDSA-O
MW305.49 g/mol
LogP3.20
Rot. Bonds8

About trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium

trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium (PubChem CID 10274425) has the molecular formula C19H33N2O+ and a molecular weight of 305.49 g/mol. Its IUPAC name is trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium
PubChem CID10274425
Molecular FormulaC19H33N2O+
Molecular Weight305.49 g/mol
Exact Mass305.26
IUPAC Nametrimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NCCC[N+](C)(C)C)cc1
InChIInChI=1S/C19H32N2O/c1-15(2)14-17-8-10-18(11-9-17)16(3)19(22)20-12-7-13-21(4,5)6/h8-11,15-16H,7,12-14H2,1-6H3/p+1/t16-/m1/s1
InChIKeyCTNJKUQEEPJEIS-MRXNPFEDSA-O
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

triethyl-[3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propyl]azanium
CID 22218584
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
(2R)-N-[3-(diaminomethylideneamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 121452328
N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 118460057
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
2-[carboxymethyl-[8-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]octyl]amino]acetic acid
CID 170115875
(2R)-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 10140177
trimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]ethyl]azanium
CID 15219069
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium?
The IUPAC name of trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium (CID 10274425) is trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium.
What is the SMILES notation for trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium?
The canonical SMILES for trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium is CC(C)Cc1ccc([C@@H](C)C(=O)NCCC[N+](C)(C)C)cc1.
What is the InChIKey of trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium?
The InChIKey is CTNJKUQEEPJEIS-MRXNPFEDSA-O. The full InChI is InChI=1S/C19H32N2O/c1-15(2)14-17-8-10-18(11-9-17)16(3)19(22)20-12-7-13-21(4,5)6/h8-11,15-16H,7,12-14H2,1-6H3/p+1/t16-/m1/s1.
What are the key properties of trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium?
trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium has a molecular weight of 305.49 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium is sourced from PubChem (CID 10274425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).