4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide

C16H19N3O5 — CID 133353126

IUPAC4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NCC(C)(O)c2ccc(C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H19N3O5/c1-10-4-7-14(24-10)16(2,21)9-18-12-6-5-11(15(20)17-3)8-13(12)19(22)23/h4-8,18,21H,9H2,1-3H3,(H,17,20)
InChIKeyGZQJWYSDTLIVIG-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.18
Rot. Bonds6

About 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide

4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide (PubChem CID 133353126) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide
PubChem CID133353126
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NCC(C)(O)c2ccc(C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H19N3O5/c1-10-4-7-14(24-10)16(2,21)9-18-12-6-5-11(15(20)17-3)8-13(12)19(22)23/h4-8,18,21H,9H2,1-3H3,(H,17,20)
InChIKeyGZQJWYSDTLIVIG-UHFFFAOYSA-N
XLogP2.18
TPSA117.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.18
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 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide 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

4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzenesulfonamide
CID 133353072
N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide
CID 103718691
N-methyl-3-nitro-4-(3,3,3-trifluoropropylamino)benzamide
CID 79034012
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283
4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-N-methyl-3-nitrobenzamide
CID 133342155
4-(2,3-dimethylbutylamino)-N-methyl-3-nitrobenzamide
CID 78998693
4-(benzylamino)-N-methyl-3-nitrobenzamide
CID 78906795
N-methyl-4-(3-methylbutylamino)-3-nitrobenzamide
CID 47370288
N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide
CID 83000114
N-methyl-4-(2-methylsulfanylpropylamino)-3-nitrobenzamide
CID 115756077
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-nitrobenzamide
CID 103823299
N-methyl-4-(2-methylpentan-2-ylamino)-3-nitrobenzamide
CID 115624698

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide (CID 133353126) is 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide is CNC(=O)c1ccc(NCC(C)(O)c2ccc(C)o2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide?
The InChIKey is GZQJWYSDTLIVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-10-4-7-14(24-10)16(2,21)9-18-12-6-5-11(15(20)17-3)8-13(12)19(22)23/h4-8,18,21H,9H2,1-3H3,(H,17,20).
What are the key properties of 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide?
4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide has a molecular weight of 333.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 133353126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).