N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide

C21H20N2O5 — CID 18127068

IUPACN-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)NCC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H20N2O5/c24-19(15-6-8-17(9-7-15)23(26)27)14-22-21(25)13-11-18-10-12-20(28-18)16-4-2-1-3-5-16/h1-10,12,19,24H,11,13-14H2,(H,22,25)
InChIKeyXCWCSGFRZZVIPX-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.64
Rot. Bonds8

About N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide

N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 18127068) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide
PubChem CID18127068
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)NCC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H20N2O5/c24-19(15-6-8-17(9-7-15)23(26)27)14-22-21(25)13-11-18-10-12-20(28-18)16-4-2-1-3-5-16/h1-10,12,19,24H,11,13-14H2,(H,22,25)
InChIKeyXCWCSGFRZZVIPX-UHFFFAOYSA-N
XLogP3.64
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 42959591
3-(5-phenylfuran-2-yl)-N-(2-phenylpropyl)propanamide
CID 42907748
N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide
CID 42908904
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 31617606
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 43001530
N-(2-methyl-3-piperidin-1-ylpropyl)-3-(5-phenylfuran-2-yl)propanamide
CID 55980917
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
N-[4-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 43836966
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 42377200
N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide
CID 51149871
N-(3-phenoxypropyl)-3-(5-phenylfuran-2-yl)propanamide
CID 18120278
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide
CID 111436212

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide (CID 18127068) is N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide is O=C(CCc1ccc(-c2ccccc2)o1)NCC(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is XCWCSGFRZZVIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c24-19(15-6-8-17(9-7-15)23(26)27)14-22-21(25)13-11-18-10-12-20(28-18)16-4-2-1-3-5-16/h1-10,12,19,24H,11,13-14H2,(H,22,25).
What are the key properties of N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide?
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 380.40 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 18127068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).