2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide

C14H16N2O2 — CID 62072448

IUPAC2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
SMILESCc1ccc(N)c(C(=O)N(C)Cc2ccco2)c1
InChIInChI=1S/C14H16N2O2/c1-10-5-6-13(15)12(8-10)14(17)16(2)9-11-4-3-7-18-11/h3-8H,9,15H2,1-2H3
InChIKeyJVBUJTNTECFISS-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.44
Rot. Bonds3

About 2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide

2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide (PubChem CID 62072448) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
PubChem CID62072448
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
SMILESCc1ccc(N)c(C(=O)N(C)Cc2ccco2)c1
InChIInChI=1S/C14H16N2O2/c1-10-5-6-13(15)12(8-10)14(17)16(2)9-11-4-3-7-18-11/h3-8H,9,15H2,1-2H3
InChIKeyJVBUJTNTECFISS-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

2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide
CID 54878485
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 43526535
5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 114045921
N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508
N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide
CID 27739527
2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 55246430
2-amino-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62787665
3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide
CID 112750794
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5008084

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide?
The IUPAC name of 2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide (CID 62072448) is 2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide.
What is the SMILES notation for 2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide?
The canonical SMILES for 2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide is Cc1ccc(N)c(C(=O)N(C)Cc2ccco2)c1.
What is the InChIKey of 2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide?
The InChIKey is JVBUJTNTECFISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-5-6-13(15)12(8-10)14(17)16(2)9-11-4-3-7-18-11/h3-8H,9,15H2,1-2H3.
What are the key properties of 2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide?
2-amino-N-(furan-2-ylmethyl)-N,5-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 2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide is sourced from PubChem (CID 62072448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).