(2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide

C20H33N2O2+ — CID 10202859

IUPAC(2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide
SMILESCC(C)c1cccc([C@@H](C)C(=O)NCCC[N+]2(C)CCOCC2)c1
InChIInChI=1S/C20H32N2O2/c1-16(2)18-7-5-8-19(15-18)17(3)20(23)21-9-6-10-22(4)11-13-24-14-12-22/h5,7-8,15-17H,6,9-14H2,1-4H3/p+1/t17-/m1/s1
InChIKeyIYJBLBPATIAPBT-QGZVFWFLSA-O
MW333.50 g/mol
LogP2.90
Rot. Bonds7

About (2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide

(2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide (PubChem CID 10202859) has the molecular formula C20H33N2O2+ and a molecular weight of 333.50 g/mol. Its IUPAC name is (2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide
PubChem CID10202859
Molecular FormulaC20H33N2O2+
Molecular Weight333.50 g/mol
Exact Mass333.25
IUPAC Name(2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide
SMILESCC(C)c1cccc([C@@H](C)C(=O)NCCC[N+]2(C)CCOCC2)c1
InChIInChI=1S/C20H32N2O2/c1-16(2)18-7-5-8-19(15-18)17(3)20(23)21-9-6-10-22(4)11-13-24-14-12-22/h5,7-8,15-17H,6,9-14H2,1-4H3/p+1/t17-/m1/s1
InChIKeyIYJBLBPATIAPBT-QGZVFWFLSA-O
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-[2-(3-propan-2-ylphenyl)propanoylamino]acetic acid
CID 85054099
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CID 10140177
(2R)-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide iodide
CID 10140176
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]octadecanamide
CID 3023894
2-(3-bromophenyl)-N-hexylpropanamide
CID 176514304
N-butyl-2-phenylpropanamide
CID 101453557
5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid
CID 119235220
2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide
CID 106006314
3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium
CID 10229205
2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006140
4-(2-naphthalen-2-ylpropanoylamino)butanoic acid
CID 119352727

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide?
The IUPAC name of (2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide (CID 10202859) is (2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide is CC(C)c1cccc([C@@H](C)C(=O)NCCC[N+]2(C)CCOCC2)c1.
What is the InChIKey of (2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide?
The InChIKey is IYJBLBPATIAPBT-QGZVFWFLSA-O. The full InChI is InChI=1S/C20H32N2O2/c1-16(2)18-7-5-8-19(15-18)17(3)20(23)21-9-6-10-22(4)11-13-24-14-12-22/h5,7-8,15-17H,6,9-14H2,1-4H3/p+1/t17-/m1/s1.
What are the key properties of (2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide?
(2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide has a molecular weight of 333.50 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2-(3-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 10202859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).