3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium

C24H33N2O2+ — CID 10229205

IUPAC3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium
SMILESCC(C)[N+](C)(C)CCCNC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C24H32N2O2/c1-18(2)26(4,5)16-10-15-25-24(28)19(3)21-13-9-14-22(17-21)23(27)20-11-7-6-8-12-20/h6-9,11-14,17-19H,10,15-16H2,1-5H3/p+1/t19-/m1/s1
InChIKeyVUHJMOMQKWSRBK-LJQANCHMSA-O
MW381.54 g/mol
LogP4.01
Rot. Bonds9

About 3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium

3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium (PubChem CID 10229205) has the molecular formula C24H33N2O2+ and a molecular weight of 381.54 g/mol. Its IUPAC name is 3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium.

Molecular Properties

Compound Name3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium
PubChem CID10229205
Molecular FormulaC24H33N2O2+
Molecular Weight381.54 g/mol
Exact Mass381.25
IUPAC Name3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium
SMILESCC(C)[N+](C)(C)CCCNC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C24H32N2O2/c1-18(2)26(4,5)16-10-15-25-24(28)19(3)21-13-9-14-22(17-21)23(27)20-11-7-6-8-12-20/h6-9,11-14,17-19H,10,15-16H2,1-5H3/p+1/t19-/m1/s1
InChIKeyVUHJMOMQKWSRBK-LJQANCHMSA-O
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 54.01
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

(2S)-2-amino-4-[2-(3-benzoylphenyl)propanoylamino]butanoic acid
CID 155451997
(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide
CID 1019404
2-(3-benzoylphenyl)-N-(cyclohexylmethyl)propanamide
CID 46211146
(2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 98001029
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide
CID 42633596
(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide
CID 837003
CID 157056025
CID 157056025
CID 66964934
CID 66964934
(2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide
CID 142164869
(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 1019515

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium?
The IUPAC name of 3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium (CID 10229205) is 3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium.
What is the SMILES notation for 3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium?
The canonical SMILES for 3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium is CC(C)[N+](C)(C)CCCNC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium?
The InChIKey is VUHJMOMQKWSRBK-LJQANCHMSA-O. The full InChI is InChI=1S/C24H32N2O2/c1-18(2)26(4,5)16-10-15-25-24(28)19(3)21-13-9-14-22(17-21)23(27)20-11-7-6-8-12-20/h6-9,11-14,17-19H,10,15-16H2,1-5H3/p+1/t19-/m1/s1.
What are the key properties of 3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium?
3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium has a molecular weight of 381.54 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium is sourced from PubChem (CID 10229205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).