N-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide

C30H33N3O4 — CID 91351234

IUPACN-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide
SMILESO=C(NCCc1ccco1)c1ccccc1C1CCN(CCN2C=COC(c3cccc(O)c3)=C2)CC1
InChIInChI=1S/C30H33N3O4/c34-25-6-3-5-24(21-25)29-22-33(18-20-37-29)17-16-32-14-11-23(12-15-32)27-8-1-2-9-28(27)30(35)31-13-10-26-7-4-19-36-26/h1-9,18-23,34H,10-17H2,(H,31,35)
InChIKeyRCVGXKVGBNDMMI-UHFFFAOYSA-N
MW499.61 g/mol
LogP4.94
Rot. Bonds9

About N-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide

N-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide (PubChem CID 91351234) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide
PubChem CID91351234
Molecular FormulaC30H33N3O4
Molecular Weight499.61 g/mol
Exact Mass499.25
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide
SMILESO=C(NCCc1ccco1)c1ccccc1C1CCN(CCN2C=COC(c3cccc(O)c3)=C2)CC1
InChIInChI=1S/C30H33N3O4/c34-25-6-3-5-24(21-25)29-22-33(18-20-37-29)17-16-32-14-11-23(12-15-32)27-8-1-2-9-28(27)30(35)31-13-10-26-7-4-19-36-26/h1-9,18-23,34H,10-17H2,(H,31,35)
InChIKeyRCVGXKVGBNDMMI-UHFFFAOYSA-N
XLogP4.94
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]-N-(4-phenylbutyl)benzamide
CID 90896625
5-chloro-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 90749919
5-chloro-2-[1-[2-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]-N-(2-phenylethyl)benzamide
CID 69040205
N-(3-ethoxypropyl)-2-[1-[2-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide
CID 69040699
3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 113386431
benzyl 4-[[[5-chloro-2-[1-[2-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzoyl]amino]methyl]piperidine-1-carboxylate
CID 69041492
N-[2-(furan-2-yl)ethyl]-2-hydrazinylbenzamide
CID 62249792
N-[2-(3,5-difluorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
CID 24802834
tert-butyl 4-[2-[[5-chloro-2-[1-[2-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzoyl]amino]ethyl]piperazine-1-carboxylate
CID 69041344
N-[2-(furan-2-yl)ethyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66497553
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 112575697

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide (CID 91351234) is N-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide is O=C(NCCc1ccco1)c1ccccc1C1CCN(CCN2C=COC(c3cccc(O)c3)=C2)CC1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide?
The InChIKey is RCVGXKVGBNDMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4/c34-25-6-3-5-24(21-25)29-22-33(18-20-37-29)17-16-32-14-11-23(12-15-32)27-8-1-2-9-28(27)30(35)31-13-10-26-7-4-19-36-26/h1-9,18-23,34H,10-17H2,(H,31,35).
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide?
N-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide has a molecular weight of 499.61 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2-[1-[2-[2-(3-hydroxyphenyl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 91351234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).