(2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide

C22H28N2O — CID 142164869

IUPAC(2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide
SMILESC=C(c1ccccc1)c1cccc([C@@H](C)C(=O)NCCCN(C)C)c1
InChIInChI=1S/C22H28N2O/c1-17(19-10-6-5-7-11-19)20-12-8-13-21(16-20)18(2)22(25)23-14-9-15-24(3)4/h5-8,10-13,16,18H,1,9,14-15H2,2-4H3,(H,23,25)/t18-/m1/s1
InChIKeySYHHDZJDXQVPOM-GOSISDBHSA-N
MW336.48 g/mol
LogP3.92
Rot. Bonds8

About (2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide

(2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide (PubChem CID 142164869) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide
PubChem CID142164869
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide
SMILESC=C(c1ccccc1)c1cccc([C@@H](C)C(=O)NCCCN(C)C)c1
InChIInChI=1S/C22H28N2O/c1-17(19-10-6-5-7-11-19)20-12-8-13-21(16-20)18(2)22(25)23-14-9-15-24(3)4/h5-8,10-13,16,18H,1,9,14-15H2,2-4H3,(H,23,25)/t18-/m1/s1
InChIKeySYHHDZJDXQVPOM-GOSISDBHSA-N
XLogP3.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium
CID 10229205
N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 109064219
N-butyl-2-phenylpropanamide
CID 101453557
2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride
CID 119852800
(2S)-2-amino-4-[2-(3-benzoylphenyl)propanoylamino]butanoic acid
CID 155451997
4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 63323737
N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide
CID 110408193
3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878319
N-(4-chloropentyl)-2-phenylpropanamide
CID 106129293
N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide
CID 6808043
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid
CID 119235220

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide?
The IUPAC name of (2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide (CID 142164869) is (2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide.
What is the SMILES notation for (2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide?
The canonical SMILES for (2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide is C=C(c1ccccc1)c1cccc([C@@H](C)C(=O)NCCCN(C)C)c1.
What is the InChIKey of (2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide?
The InChIKey is SYHHDZJDXQVPOM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17(19-10-6-5-7-11-19)20-12-8-13-21(16-20)18(2)22(25)23-14-9-15-24(3)4/h5-8,10-13,16,18H,1,9,14-15H2,2-4H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide?
(2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide has a molecular weight of 336.48 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(dimethylamino)propyl]-2-[3-(1-phenylethenyl)phenyl]propanamide is sourced from PubChem (CID 142164869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).