N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide

C15H18N2O2 — CID 43459665

IUPACN-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)c1ccoc1
InChIInChI=1S/C15H18N2O2/c1-2-7-17(15(18)13-6-8-19-11-13)10-12-4-3-5-14(16)9-12/h3-6,8-9,11H,2,7,10,16H2,1H3
InChIKeyLUBZPEKWJXSEOY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.91
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide

N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide (PubChem CID 43459665) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide
PubChem CID43459665
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)c1ccoc1
InChIInChI=1S/C15H18N2O2/c1-2-7-17(15(18)13-6-8-19-11-13)10-12-4-3-5-14(16)9-12/h3-6,8-9,11H,2,7,10,16H2,1H3
InChIKeyLUBZPEKWJXSEOY-UHFFFAOYSA-N
XLogP2.91
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
CID 43459684
N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide
CID 43459645
N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
CID 43459683
ethyl N-[(3-aminophenyl)methyl]-N-propylcarbamate
CID 43459708
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide
CID 79160910
N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 63022155
N-(cyclopropylmethyl)-N-propylfuran-3-carboxamide
CID 86912308
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
CID 103017662

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide (CID 43459665) is N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide is CCCN(Cc1cccc(N)c1)C(=O)c1ccoc1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide?
The InChIKey is LUBZPEKWJXSEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-7-17(15(18)13-6-8-19-11-13)10-12-4-3-5-14(16)9-12/h3-6,8-9,11H,2,7,10,16H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide?
N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.91, 5 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-propylfuran-3-carboxamide is sourced from PubChem (CID 43459665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).