N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide

C15H17N3O5 — CID 111520261

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide
SMILESCC(O)(CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C15H17N3O5/c1-15(20,13-7-4-8-23-13)10-17-14(19)9-16-11-5-2-3-6-12(11)18(21)22/h2-8,16,20H,9-10H2,1H3,(H,17,19)
InChIKeyOTXOYACMFWHJTR-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.62
Rot. Bonds7

About N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide (PubChem CID 111520261) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide
PubChem CID111520261
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide
SMILESCC(O)(CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C15H17N3O5/c1-15(20,13-7-4-8-23-13)10-17-14(19)9-16-11-5-2-3-6-12(11)18(21)22/h2-8,16,20H,9-10H2,1H3,(H,17,19)
InChIKeyOTXOYACMFWHJTR-UHFFFAOYSA-N
XLogP1.62
TPSA117.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-nitroanilino)-N-prop-2-ynylacetamide
CID 47401063
2-(2-nitroanilino)-N-propylacetamide
CID 43398638
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[(2-nitrophenyl)methyl]guanidine
CID 111671694
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide
CID 111482013
N-(2-aminoethyl)-2-(2-nitroanilino)acetamide
CID 119384296
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide
CID 110000865
N-(3-hydroxybutyl)-2-(2-nitroanilino)acetamide
CID 111433406
N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride
CID 119507792
N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide
CID 120826811
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
3-(furan-2-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111481891
4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide
CID 109379769

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide (CID 111520261) is N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide is CC(O)(CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide?
The InChIKey is OTXOYACMFWHJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-15(20,13-7-4-8-23-13)10-17-14(19)9-16-11-5-2-3-6-12(11)18(21)22/h2-8,16,20H,9-10H2,1H3,(H,17,19).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide has a molecular weight of 319.32 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide is sourced from PubChem (CID 111520261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).