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

C19H22N2O3 — CID 110729890

IUPACN-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCN1CCOc2ccccc21
InChIInChI=1S/C19H22N2O3/c22-19(10-14-23-16-6-2-1-3-7-16)20-11-12-21-13-15-24-18-9-5-4-8-17(18)21/h1-9H,10-15H2,(H,20,22)
InChIKeySMARFWUTEUBSPC-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.47
Rot. Bonds7

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

N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide (PubChem CID 110729890) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide
PubChem CID110729890
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCN1CCOc2ccccc21
InChIInChI=1S/C19H22N2O3/c22-19(10-14-23-16-6-2-1-3-7-16)20-11-12-21-13-15-24-18-9-5-4-8-17(18)21/h1-9H,10-15H2,(H,20,22)
InChIKeySMARFWUTEUBSPC-UHFFFAOYSA-N
XLogP2.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.47
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]-2-phenoxyacetamide
CID 110729888
N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 110729912
2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide
CID 110729885
3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-hydroxypropanoic acid
CID 22593914
4-(2,3-dihydro-1,4-benzoxazin-4-yl)butanoic acid
CID 119134717
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-3-phenoxypropanamide
CID 110314174
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide
CID 110404823
4-[2-[4-[(Z)-2-phenoxyprop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-benzoxazine
CID 59963099
2-[[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]methylamino]butanoic acid
CID 11773102
ethyl (E)-3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-phenoxyprop-2-enoate
CID 140524747
sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-methyl-2-phenoxypropanoate
CID 20671817
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenoxypropanamide
CID 110792383

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide (CID 110729890) is N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCCN1CCOc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide?
The InChIKey is SMARFWUTEUBSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-19(10-14-23-16-6-2-1-3-7-16)20-11-12-21-13-15-24-18-9-5-4-8-17(18)21/h1-9H,10-15H2,(H,20,22).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide?
N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide has a molecular weight of 326.40 g/mol, XLogP of 2.47, 7 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]-3-phenoxypropanamide is sourced from PubChem (CID 110729890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).