N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

C17H18N2O5 — CID 86981077

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)NCC(O)c1ccco1
InChIInChI=1S/C17H18N2O5/c20-13(15-6-3-9-23-15)10-18-16(21)7-8-19-12-4-1-2-5-14(12)24-11-17(19)22/h1-6,9,13,20H,7-8,10-11H2,(H,18,21)
InChIKeyFAUMFKOFJIMPKQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.24
Rot. Bonds6

About N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 86981077) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID86981077
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)NCC(O)c1ccco1
InChIInChI=1S/C17H18N2O5/c20-13(15-6-3-9-23-15)10-18-16(21)7-8-19-12-4-1-2-5-14(12)24-11-17(19)22/h1-6,9,13,20H,7-8,10-11H2,(H,18,21)
InChIKeyFAUMFKOFJIMPKQ-UHFFFAOYSA-N
XLogP1.24
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide;hydrochloride
CID 119526918
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 34971634
2,2-dimethyl-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoic acid
CID 119249168
N-(3-methylbutan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46651113
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55526571
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 39956346
N-(2-morpholin-4-ylethyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 3240979
N-[2-(azepan-1-ium-1-yl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 3551660
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 6938465
N-[[4-(dimethylamino)phenyl]methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9305476
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 17403868
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 46592990

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 86981077) is N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is O=C(CCN1C(=O)COc2ccccc21)NCC(O)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is FAUMFKOFJIMPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c20-13(15-6-3-9-23-15)10-18-16(21)7-8-19-12-4-1-2-5-14(12)24-11-17(19)22/h1-6,9,13,20H,7-8,10-11H2,(H,18,21).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 330.34 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 86981077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).