N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide

C15H18N2O2 — CID 43457798

IUPACN-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cccc(N)c2)c(C)o1
InChIInChI=1S/C15H18N2O2/c1-10-7-14(11(2)19-10)15(18)17(3)9-12-5-4-6-13(16)8-12/h4-8H,9,16H2,1-3H3
InChIKeyJRQVWFQHBJQNDU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.75
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide

N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide (PubChem CID 43457798) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
PubChem CID43457798
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cccc(N)c2)c(C)o1
InChIInChI=1S/C15H18N2O2/c1-10-7-14(11(2)19-10)15(18)17(3)9-12-5-4-6-13(16)8-12/h4-8H,9,16H2,1-3H3
InChIKeyJRQVWFQHBJQNDU-UHFFFAOYSA-N
XLogP2.75
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide 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

N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43383719
N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82826934
N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43549722
N-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860367
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785
N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide
CID 79757071
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 78798582
N-[(3-aminophenyl)methyl]-3-bromo-N,5-dimethylbenzamide
CID 104850560

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide (CID 43457798) is N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide is Cc1cc(C(=O)N(C)Cc2cccc(N)c2)c(C)o1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide?
The InChIKey is JRQVWFQHBJQNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-7-14(11(2)19-10)15(18)17(3)9-12-5-4-6-13(16)8-12/h4-8H,9,16H2,1-3H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide?
N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 43457798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).