(2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide

C15H20N2O3 — CID 95308356

IUPAC(2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide
SMILESCN(C)C(=O)[C@@H](Cc1ccccc1)N1CCCOC1=O
InChIInChI=1S/C15H20N2O3/c1-16(2)14(18)13(11-12-7-4-3-5-8-12)17-9-6-10-20-15(17)19/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyVJYIHOYXCVHKLH-CYBMUJFWSA-N
MW276.34 g/mol
LogP1.53
Rot. Bonds4

About (2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide

(2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide (PubChem CID 95308356) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide
PubChem CID95308356
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide
SMILESCN(C)C(=O)[C@@H](Cc1ccccc1)N1CCCOC1=O
InChIInChI=1S/C15H20N2O3/c1-16(2)14(18)13(11-12-7-4-3-5-8-12)17-9-6-10-20-15(17)19/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyVJYIHOYXCVHKLH-CYBMUJFWSA-N
XLogP1.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-[2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanoyl]piperazin-1-yl]butanoate
CID 119039106
3-(1H-indol-3-yl)-2-(2-oxo-1,3-oxazinan-3-yl)propanoic acid
CID 79690015
(2S)-2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N,N-dimethyl-3-phenylpropanamide
CID 98304710
2-hydroxy-N,N-dimethyl-3-phenylpropanamide
CID 18771503
(2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688497
N-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide
CID 110856938
(3R)-3-benzyl-4-(dimethylamino)-4-oxobutanoic acid
CID 139971976
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
CID 107861552
2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)-N,N-dimethyl-3-phenylpropanamide
CID 50877674
S-[(2R)-2-benzyl-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl] ethanethioate
CID 102197437
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid
CID 10105471

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide?
The IUPAC name of (2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide (CID 95308356) is (2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide is CN(C)C(=O)[C@@H](Cc1ccccc1)N1CCCOC1=O.
What is the InChIKey of (2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide?
The InChIKey is VJYIHOYXCVHKLH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16(2)14(18)13(11-12-7-4-3-5-8-12)17-9-6-10-20-15(17)19/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide?
(2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-(2-oxo-1,3-oxazinan-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 95308356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).