2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide

C15H17N3O4 — CID 51171787

IUPAC2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccco1
InChIInChI=1S/C15H17N3O4/c1-11(17(2)10-14-4-3-9-22-14)15(19)16-12-5-7-13(8-6-12)18(20)21/h3-9,11H,10H2,1-2H3,(H,16,19)
InChIKeyFFBMRAZOSHKXGK-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.65
Rot. Bonds6

About 2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide

2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide (PubChem CID 51171787) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide
PubChem CID51171787
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccco1
InChIInChI=1S/C15H17N3O4/c1-11(17(2)10-14-4-3-9-22-14)15(19)16-12-5-7-13(8-6-12)18(20)21/h3-9,11H,10H2,1-2H3,(H,16,19)
InChIKeyFFBMRAZOSHKXGK-UHFFFAOYSA-N
XLogP2.65
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
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'}

Analyze 2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide 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-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide
CID 55351839
N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 17403152
N-(2-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526612
(2R)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-N-(4-nitrophenyl)propanamide
CID 40795616
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 86984191
(2R)-N-(2,4-dichlorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 9334007
N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526601
N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide
CID 7584723
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
CID 134062767
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide
CID 18094741
2-[butan-2-yl-[(4-nitrophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 5145339

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide?
The IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide (CID 51171787) is 2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide.
What is the SMILES notation for 2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide?
The canonical SMILES for 2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide is CC(C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccco1.
What is the InChIKey of 2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide?
The InChIKey is FFBMRAZOSHKXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-11(17(2)10-14-4-3-9-22-14)15(19)16-12-5-7-13(8-6-12)18(20)21/h3-9,11H,10H2,1-2H3,(H,16,19).
What are the key properties of 2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide?
2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide has a molecular weight of 303.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide is sourced from PubChem (CID 51171787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).