N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide

C22H20N2O5 — CID 43071980

IUPACN-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1occc1COc1ccccc1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C22H20N2O5/c1-14(15-7-8-19-18(11-15)24-20(25)13-29-19)23-22(26)21-16(9-10-27-21)12-28-17-5-3-2-4-6-17/h2-11,14H,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyDNBYZYXYCNVVSH-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.68
Rot. Bonds6

About N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 43071980) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID43071980
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC NameN-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1occc1COc1ccccc1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C22H20N2O5/c1-14(15-7-8-19-18(11-15)24-20(25)13-29-19)23-22(26)21-16(9-10-27-21)12-28-17-5-3-2-4-6-17/h2-11,14H,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyDNBYZYXYCNVVSH-UHFFFAOYSA-N
XLogP3.68
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51123477
2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 38958990
3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide
CID 46432860
3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 59802754
2-(4-methylphenyl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 43071969
N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide
CID 38960523
N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 78856715
2-(2-methoxyethoxy)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 94022978
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]acetic acid
CID 43135032
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 94163839
1-(3-hydroxypropyl)-3-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 94149101
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]prop-2-enamide
CID 166407009

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 43071980) is N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide is CC(NC(=O)c1occc1COc1ccccc1)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is DNBYZYXYCNVVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-14(15-7-8-19-18(11-15)24-20(25)13-29-19)23-22(26)21-16(9-10-27-21)12-28-17-5-3-2-4-6-17/h2-11,14H,12-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 43071980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).