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

C14H16N2O2 — CID 61426906

IUPAC3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCc1occc1CN(C)C(=O)c1cccc(N)c1
InChIInChI=1S/C14H16N2O2/c1-10-12(6-7-18-10)9-16(2)14(17)11-4-3-5-13(15)8-11/h3-8H,9,15H2,1-2H3
InChIKeyLGRCQWIBAGLTFY-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.44
Rot. Bonds3

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

3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide (PubChem CID 61426906) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
PubChem CID61426906
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCc1occc1CN(C)C(=O)c1cccc(N)c1
InChIInChI=1S/C14H16N2O2/c1-10-12(6-7-18-10)9-16(2)14(17)11-4-3-5-13(15)8-11/h3-8H,9,15H2,1-2H3
InChIKeyLGRCQWIBAGLTFY-UHFFFAOYSA-N
XLogP2.44
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.44
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

3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426369
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 54906216
2-(3-aminophenoxy)-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 61426808
4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 104782708
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
5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 61426704
4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 80976057
5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 102705344
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
CID 61426758
2-hydroxy-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61380836

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The IUPAC name of 3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide (CID 61426906) is 3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The canonical SMILES for 3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide is Cc1occc1CN(C)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The InChIKey is LGRCQWIBAGLTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-12(6-7-18-10)9-16(2)14(17)11-4-3-5-13(15)8-11/h3-8H,9,15H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide has a molecular weight of 244.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide is sourced from PubChem (CID 61426906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).