(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide

C11H16N2O — CID 94888711

IUPAC(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
SMILESCN(C)C(=O)[C@H](CN)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-13(2)11(14)10(8-12)9-6-4-3-5-7-9/h3-7,10H,8,12H2,1-2H3/t10-/m1/s1
InChIKeyJVBUGQVYMKHASD-SNVBAGLBSA-N
MW192.26 g/mol
LogP0.82
Rot. Bonds3

About (2S)-3-amino-N,N-dimethyl-2-phenylpropanamide

(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide (PubChem CID 94888711) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S)-3-amino-N,N-dimethyl-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
PubChem CID94888711
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
SMILESCN(C)C(=O)[C@H](CN)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-13(2)11(14)10(8-12)9-6-4-3-5-7-9/h3-7,10H,8,12H2,1-2H3/t10-/m1/s1
InChIKeyJVBUGQVYMKHASD-SNVBAGLBSA-N
XLogP0.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide
CID 62878721
3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide
CID 62876632
3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
CID 62877996
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide
CID 62878205
3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide
CID 62879070
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide
CID 62876983

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-N,N-dimethyl-2-phenylpropanamide?
The IUPAC name of (2S)-3-amino-N,N-dimethyl-2-phenylpropanamide (CID 94888711) is (2S)-3-amino-N,N-dimethyl-2-phenylpropanamide.
What is the SMILES notation for (2S)-3-amino-N,N-dimethyl-2-phenylpropanamide?
The canonical SMILES for (2S)-3-amino-N,N-dimethyl-2-phenylpropanamide is CN(C)C(=O)[C@H](CN)c1ccccc1.
What is the InChIKey of (2S)-3-amino-N,N-dimethyl-2-phenylpropanamide?
The InChIKey is JVBUGQVYMKHASD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13(2)11(14)10(8-12)9-6-4-3-5-7-9/h3-7,10H,8,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-3-amino-N,N-dimethyl-2-phenylpropanamide?
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide has a molecular weight of 192.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-N,N-dimethyl-2-phenylpropanamide is sourced from PubChem (CID 94888711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).