(2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide

C17H21N3O — CID 139148668

IUPAC(2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide
SMILESCCN(CC)C(=O)[C@@H](C)c1cccc(-c2ncccn2)c1
InChIInChI=1S/C17H21N3O/c1-4-20(5-2)17(21)13(3)14-8-6-9-15(12-14)16-18-10-7-11-19-16/h6-13H,4-5H2,1-3H3/t13-/m0/s1
InChIKeySZDFNKDKSMSGDU-ZDUSSCGKSA-N
MW283.38 g/mol
LogP3.12
Rot. Bonds5

About (2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide

(2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide (PubChem CID 139148668) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide
PubChem CID139148668
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide
SMILESCCN(CC)C(=O)[C@@H](C)c1cccc(-c2ncccn2)c1
InChIInChI=1S/C17H21N3O/c1-4-20(5-2)17(21)13(3)14-8-6-9-15(12-14)16-18-10-7-11-19-16/h6-13H,4-5H2,1-3H3/t13-/m0/s1
InChIKeySZDFNKDKSMSGDU-ZDUSSCGKSA-N
XLogP3.12
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 158374042
N-ethyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 109468131
2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide
CID 106590949
N,N-diethyl-2-naphthalen-1-ylpropanamide
CID 15100949
3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol
CID 91024005
2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107396898
2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide
CID 67590855
2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 62225537
2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 60814510
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide?
The IUPAC name of (2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide (CID 139148668) is (2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide.
What is the SMILES notation for (2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide?
The canonical SMILES for (2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide is CCN(CC)C(=O)[C@@H](C)c1cccc(-c2ncccn2)c1.
What is the InChIKey of (2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide?
The InChIKey is SZDFNKDKSMSGDU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-20(5-2)17(21)13(3)14-8-6-9-15(12-14)16-18-10-7-11-19-16/h6-13H,4-5H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide?
(2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide has a molecular weight of 283.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-2-(3-pyrimidin-2-ylphenyl)propanamide is sourced from PubChem (CID 139148668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).