N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide

C15H19N3O2 — CID 43526556

IUPACN-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide
SMILESCN(CC(=O)N(C)c1ccc(N)cc1)Cc1ccco1
InChIInChI=1S/C15H19N3O2/c1-17(10-14-4-3-9-20-14)11-15(19)18(2)13-7-5-12(16)6-8-13/h3-9H,10-11,16H2,1-2H3
InChIKeyIUNBRAYKDXDCMU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.96
Rot. Bonds5

About N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide

N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide (PubChem CID 43526556) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide
PubChem CID43526556
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide
SMILESCN(CC(=O)N(C)c1ccc(N)cc1)Cc1ccco1
InChIInChI=1S/C15H19N3O2/c1-17(10-14-4-3-9-20-14)11-15(19)18(2)13-7-5-12(16)6-8-13/h3-9H,10-11,16H2,1-2H3
InChIKeyIUNBRAYKDXDCMU-UHFFFAOYSA-N
XLogP1.96
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[furan-2-ylmethyl(methyl)amino]butan-2-one
CID 62038679
N-(4-aminophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylacetamide
CID 61438374
N-(5-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 43526619
N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 79383876
1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol
CID 62264881
4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid
CID 104698066
3-(furan-2-yl)-N-methyl-N-(4-sulfamoylphenyl)propanamide
CID 61131132
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine
CID 103067643
N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
CID 43627611
2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone
CID 62051012
3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide
CID 76979523

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide (CID 43526556) is N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide is CN(CC(=O)N(C)c1ccc(N)cc1)Cc1ccco1.
What is the InChIKey of N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide?
The InChIKey is IUNBRAYKDXDCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17(10-14-4-3-9-20-14)11-15(19)18(2)13-7-5-12(16)6-8-13/h3-9H,10-11,16H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide?
N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide has a molecular weight of 273.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 43526556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).