5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide

C17H22N2O3 — CID 78833523

IUPAC5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCCCN(C)c2ccccc2)o1
InChIInChI=1S/C17H22N2O3/c1-19(14-7-4-3-5-8-14)12-6-11-18-17(20)16-10-9-15(22-16)13-21-2/h3-5,7-10H,6,11-13H2,1-2H3,(H,18,20)
InChIKeyHXEHSXAFGCFQIY-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.68
Rot. Bonds8

About 5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide

5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide (PubChem CID 78833523) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide
PubChem CID78833523
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCCCN(C)c2ccccc2)o1
InChIInChI=1S/C17H22N2O3/c1-19(14-7-4-3-5-8-14)12-6-11-18-17(20)16-10-9-15(22-16)13-21-2/h3-5,7-10H,6,11-13H2,1-2H3,(H,18,20)
InChIKeyHXEHSXAFGCFQIY-UHFFFAOYSA-N
XLogP2.68
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78840867
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide
CID 78847305
5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 78827233
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 97453798
N-[2-(ethylamino)ethyl]-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119505332
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78840822
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 111434009
2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide
CID 62475149

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide (CID 78833523) is 5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide is COCc1ccc(C(=O)NCCCN(C)c2ccccc2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide?
The InChIKey is HXEHSXAFGCFQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-19(14-7-4-3-5-8-14)12-6-11-18-17(20)16-10-9-15(22-16)13-21-2/h3-5,7-10H,6,11-13H2,1-2H3,(H,18,20).
What are the key properties of 5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide?
5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide is sourced from PubChem (CID 78833523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).