2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide

C14H16N2O3 — CID 54878485

IUPAC2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(N)c(C(=O)N(C)Cc2ccco2)c1
InChIInChI=1S/C14H16N2O3/c1-16(9-11-4-3-7-19-11)14(17)12-8-10(18-2)5-6-13(12)15/h3-8H,9,15H2,1-2H3
InChIKeyPQHQQNPHQZQRMZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.14
Rot. Bonds4

About 2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide

2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide (PubChem CID 54878485) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide
PubChem CID54878485
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(N)c(C(=O)N(C)Cc2ccco2)c1
InChIInChI=1S/C14H16N2O3/c1-16(9-11-4-3-7-19-11)14(17)12-8-10(18-2)5-6-13(12)15/h3-8H,9,15H2,1-2H3
InChIKeyPQHQQNPHQZQRMZ-UHFFFAOYSA-N
XLogP2.14
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.14
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

2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
2-amino-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426558
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54904342
4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 43526535
2-amino-5-methoxy-N-methyl-N-(2-phenylethyl)benzamide
CID 61110256
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)-N-methylacetamide
CID 112779308
2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide
CID 54878508
N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913718
2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
CID 54994939

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide?
The IUPAC name of 2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide (CID 54878485) is 2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide?
The canonical SMILES for 2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide is COc1ccc(N)c(C(=O)N(C)Cc2ccco2)c1.
What is the InChIKey of 2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide?
The InChIKey is PQHQQNPHQZQRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16(9-11-4-3-7-19-11)14(17)12-8-10(18-2)5-6-13(12)15/h3-8H,9,15H2,1-2H3.
What are the key properties of 2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide?
2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide has a molecular weight of 260.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 54878485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).