N-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

C13H16N2O2 — CID 20523783

IUPACN-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESO=C(NCCc1ccccc1)C1=NCCCO1
InChIInChI=1S/C13H16N2O2/c16-12(13-15-8-4-10-17-13)14-9-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,16)
InChIKeyMMLXKYPCTQVMML-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.16
Rot. Bonds4

About N-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

N-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 20523783) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID20523783
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESO=C(NCCc1ccccc1)C1=NCCCO1
InChIInChI=1S/C13H16N2O2/c16-12(13-15-8-4-10-17-13)14-9-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,16)
InChIKeyMMLXKYPCTQVMML-UHFFFAOYSA-N
XLogP1.16
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660
N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18108680
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959652
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-phenylacetamide
CID 110790434
N-[2-(2-phenylethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18278681
5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902231
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 1207738
3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 100771698
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191832
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 110852301

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 20523783) is N-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is O=C(NCCc1ccccc1)C1=NCCCO1.
What is the InChIKey of N-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is MMLXKYPCTQVMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-12(13-15-8-4-10-17-13)14-9-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,16).
What are the key properties of N-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 20523783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).