3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide

C14H16N2O2 — CID 61421960

IUPAC3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide
SMILESCc1c(N)cccc1C(=O)N(C)Cc1ccoc1
InChIInChI=1S/C14H16N2O2/c1-10-12(4-3-5-13(10)15)14(17)16(2)8-11-6-7-18-9-11/h3-7,9H,8,15H2,1-2H3
InChIKeyWRWQMOBUUGKKTH-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.44
Rot. Bonds3

About 3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide

3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide (PubChem CID 61421960) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide
PubChem CID61421960
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide
SMILESCc1c(N)cccc1C(=O)N(C)Cc1ccoc1
InChIInChI=1S/C14H16N2O2/c1-10-12(4-3-5-13(10)15)14(17)16(2)8-11-6-7-18-9-11/h3-7,9H,8,15H2,1-2H3
InChIKeyWRWQMOBUUGKKTH-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-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61115143
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118428
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527192
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide
CID 61108067
3-amino-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 43587238
N-(furan-3-ylmethyl)-N,4-dimethylbenzamide
CID 110868919
2-chloro-N-(furan-3-ylmethyl)-N-methylfuran-3-carboxamide
CID 106686601
N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide
CID 107722501
3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61112078
N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82827016
3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
CID 79842599
2-amino-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 62793462

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide?
The IUPAC name of 3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide (CID 61421960) is 3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide?
The canonical SMILES for 3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide is Cc1c(N)cccc1C(=O)N(C)Cc1ccoc1.
What is the InChIKey of 3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide?
The InChIKey is WRWQMOBUUGKKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-12(4-3-5-13(10)15)14(17)16(2)8-11-6-7-18-9-11/h3-7,9H,8,15H2,1-2H3.
What are the key properties of 3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide?
3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide 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-(furan-3-ylmethyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 61421960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).