4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide

C15H18N2O3 — CID 104782708

IUPAC4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccoc2C)ccc1N
InChIInChI=1S/C15H18N2O3/c1-10-12(6-7-20-10)9-17(2)15(18)11-4-5-13(16)14(8-11)19-3/h4-8H,9,16H2,1-3H3
InChIKeyJZDMERAAQYUSFO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.45
Rot. Bonds4

About 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide

4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide (PubChem CID 104782708) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
PubChem CID104782708
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccoc2C)ccc1N
InChIInChI=1S/C15H18N2O3/c1-10-12(6-7-20-10)9-17(2)15(18)11-4-5-13(16)14(8-11)19-3/h4-8H,9,16H2,1-3H3
InChIKeyJZDMERAAQYUSFO-UHFFFAOYSA-N
XLogP2.45
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-nitrobenzamide
CID 122157865
2-amino-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426558
2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine
CID 63672007
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426906
4-amino-N-benzyl-3-methoxy-N-methylbenzamide
CID 104782312
5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 102705344
4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 81441145
3-amino-4,5-dichloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426755
4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 115910403
3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426369
4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 80976057

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide (CID 104782708) is 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide is COc1cc(C(=O)N(C)Cc2ccoc2C)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The InChIKey is JZDMERAAQYUSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-12(6-7-20-10)9-17(2)15(18)11-4-5-13(16)14(8-11)19-3/h4-8H,9,16H2,1-3H3.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide has a molecular weight of 274.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide is sourced from PubChem (CID 104782708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).