5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide

C16H20N2O2 — CID 102705344

IUPAC5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCc1cc(C)c(C(=O)N(C)Cc2ccoc2C)cc1N
InChIInChI=1S/C16H20N2O2/c1-10-7-11(2)15(17)8-14(10)16(19)18(4)9-13-5-6-20-12(13)3/h5-8H,9,17H2,1-4H3
InChIKeyJFIYGSNSYIRCQL-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.06
Rot. Bonds3

About 5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide

5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide (PubChem CID 102705344) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
PubChem CID102705344
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCc1cc(C)c(C(=O)N(C)Cc2ccoc2C)cc1N
InChIInChI=1S/C16H20N2O2/c1-10-7-11(2)15(17)8-14(10)16(19)18(4)9-13-5-6-20-12(13)3/h5-8H,9,17H2,1-4H3
InChIKeyJFIYGSNSYIRCQL-UHFFFAOYSA-N
XLogP3.06
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.06
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

5-amino-2,4-difluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426909
2-amino-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426558
2-hydroxy-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61380836
4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 104782708
2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61380894
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426906
3-amino-4,5-dichloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426755
5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 47379891
4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 80976057
5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide
CID 102705736
4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide
CID 47379906
4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide
CID 65359790

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The IUPAC name of 5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide (CID 102705344) is 5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The canonical SMILES for 5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide is Cc1cc(C)c(C(=O)N(C)Cc2ccoc2C)cc1N.
What is the InChIKey of 5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The InChIKey is JFIYGSNSYIRCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-7-11(2)15(17)8-14(10)16(19)18(4)9-13-5-6-20-12(13)3/h5-8H,9,17H2,1-4H3.
What are the key properties of 5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide has a molecular weight of 272.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide is sourced from PubChem (CID 102705344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).