(2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide

C22H25N3O — CID 97231856

IUPAC(2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide
SMILESC[C@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc2ccccc2n1
InChIInChI=1S/C22H25N3O/c1-16(19-14-13-18-11-7-8-12-20(18)24-19)23-21(22(26)25(2)3)15-17-9-5-4-6-10-17/h4-14,16,21,23H,15H2,1-3H3/t16-,21-/m0/s1
InChIKeyKLFZYGPTEBLUNK-KKSFZXQISA-N
MW347.46 g/mol
LogP3.58
Rot. Bonds6

About (2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide

(2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide (PubChem CID 97231856) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide
PubChem CID97231856
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide
SMILESC[C@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc2ccccc2n1
InChIInChI=1S/C22H25N3O/c1-16(19-14-13-18-11-7-8-12-20(18)24-19)23-21(22(26)25(2)3)15-17-9-5-4-6-10-17/h4-14,16,21,23H,15H2,1-3H3/t16-,21-/m0/s1
InChIKeyKLFZYGPTEBLUNK-KKSFZXQISA-N
XLogP3.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide with MolForge

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Related Compounds

4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol
CID 97322144
N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]isoquinoline-1-carboxamide
CID 95185467
N-(2-phenyl-1-quinolin-2-ylethyl)propan-1-amine
CID 63222770
2-hydroxy-N,N-dimethyl-3-phenylpropanamide
CID 18771503
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7755371
N-(1-phenyl-3-quinolin-2-ylpropan-2-yl)acetamide
CID 130455232
2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide
CID 75433246
3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid
CID 99849415
2-methyl-N-(2-quinolin-2-ylpropyl)propan-2-amine
CID 170592923
(1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine
CID 97322347
(1R)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine
CID 97322349
(2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide
CID 89347210

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide?
The IUPAC name of (2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide (CID 97231856) is (2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide is C[C@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc2ccccc2n1.
What is the InChIKey of (2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide?
The InChIKey is KLFZYGPTEBLUNK-KKSFZXQISA-N. The full InChI is InChI=1S/C22H25N3O/c1-16(19-14-13-18-11-7-8-12-20(18)24-19)23-21(22(26)25(2)3)15-17-9-5-4-6-10-17/h4-14,16,21,23H,15H2,1-3H3/t16-,21-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide?
(2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide has a molecular weight of 347.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-3-phenyl-2-[[(1S)-1-quinolin-2-ylethyl]amino]propanamide is sourced from PubChem (CID 97231856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).