N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide

C20H25N3O2 — CID 97258571

IUPACN-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide
SMILESCc1ccc2c(n1)OCCN2CC(=O)N[C@@H](C)c1ccc(C)c(C)c1
InChIInChI=1S/C20H25N3O2/c1-13-5-7-17(11-14(13)2)16(4)22-19(24)12-23-9-10-25-20-18(23)8-6-15(3)21-20/h5-8,11,16H,9-10,12H2,1-4H3,(H,22,24)/t16-/m0/s1
InChIKeyCMRWUTPLGRACTD-INIZCTEOSA-N
MW339.44 g/mol
LogP3.08
Rot. Bonds4

About N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide

N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide (PubChem CID 97258571) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide
PubChem CID97258571
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide
SMILESCc1ccc2c(n1)OCCN2CC(=O)N[C@@H](C)c1ccc(C)c(C)c1
InChIInChI=1S/C20H25N3O2/c1-13-5-7-17(11-14(13)2)16(4)22-19(24)12-23-9-10-25-20-18(23)8-6-15(3)21-20/h5-8,11,16H,9-10,12H2,1-4H3,(H,22,24)/t16-/m0/s1
InChIKeyCMRWUTPLGRACTD-INIZCTEOSA-N
XLogP3.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide (CID 97258571) is N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide is Cc1ccc2c(n1)OCCN2CC(=O)N[C@@H](C)c1ccc(C)c(C)c1.
What is the InChIKey of N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide?
The InChIKey is CMRWUTPLGRACTD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-5-7-17(11-14(13)2)16(4)22-19(24)12-23-9-10-25-20-18(23)8-6-15(3)21-20/h5-8,11,16H,9-10,12H2,1-4H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide?
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)acetamide is sourced from PubChem (CID 97258571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).