N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide

C18H20N2O3 — CID 110729888

IUPACN-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCN1CCOc2ccccc21
InChIInChI=1S/C18H20N2O3/c21-18(14-23-15-6-2-1-3-7-15)19-10-11-20-12-13-22-17-9-5-4-8-16(17)20/h1-9H,10-14H2,(H,19,21)
InChIKeyCWYSNNVHGBGZTG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.08
Rot. Bonds6

About N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide

N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide (PubChem CID 110729888) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide
PubChem CID110729888
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCN1CCOc2ccccc21
InChIInChI=1S/C18H20N2O3/c21-18(14-23-15-6-2-1-3-7-15)19-10-11-20-12-13-22-17-9-5-4-8-16(17)20/h1-9H,10-14H2,(H,19,21)
InChIKeyCWYSNNVHGBGZTG-UHFFFAOYSA-N
XLogP2.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide
CID 110729890
2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide
CID 110729885
N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 110729912
4-(2,3-dihydro-1,4-benzoxazin-4-yl)butanoic acid
CID 119134717
3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-hydroxypropanoic acid
CID 22593914
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 110789849
2-[[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]methylamino]butanoic acid
CID 11773102
(2R)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3-nitrophenoxy)propan-2-ol
CID 95147970
2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide
CID 119447721
2-(3-fluorophenoxy)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]acetamide
CID 110719295
4-[2-[4-[(Z)-2-phenoxyprop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-benzoxazine
CID 59963099
ethyl (E)-3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-phenoxyprop-2-enoate
CID 140524747

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide (CID 110729888) is N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCN1CCOc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is CWYSNNVHGBGZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-18(14-23-15-6-2-1-3-7-15)19-10-11-20-12-13-22-17-9-5-4-8-16(17)20/h1-9H,10-14H2,(H,19,21).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide?
N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 312.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 110729888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).