3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide

C14H16N2O2 — CID 61140792

IUPAC3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCCc1ccco1
InChIInChI=1S/C14H16N2O2/c1-10-12(5-2-6-13(10)15)14(17)16-8-7-11-4-3-9-18-11/h2-6,9H,7-8,15H2,1H3,(H,16,17)
InChIKeyLUWJQCPPOSLOBD-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.14
Rot. Bonds4

About 3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide

3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide (PubChem CID 61140792) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
PubChem CID61140792
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCCc1ccco1
InChIInChI=1S/C14H16N2O2/c1-10-12(5-2-6-13(10)15)14(17)16-8-7-11-4-3-9-18-11/h2-6,9H,7-8,15H2,1H3,(H,16,17)
InChIKeyLUWJQCPPOSLOBD-UHFFFAOYSA-N
XLogP2.14
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 113386431
3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 112575697
3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 107872467
N-[2-(furan-2-yl)ethyl]-2-hydrazinylbenzamide
CID 62249792
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224
5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide
CID 103296184
2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide
CID 81421132
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 113400267
2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 103753929
2-amino-N-[2-(furan-2-yl)ethyl]butanamide
CID 43649605

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide (CID 61140792) is 3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide is Cc1c(N)cccc1C(=O)NCCc1ccco1.
What is the InChIKey of 3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide?
The InChIKey is LUWJQCPPOSLOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-12(5-2-6-13(10)15)14(17)16-8-7-11-4-3-9-18-11/h2-6,9H,7-8,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide?
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide has a molecular weight of 244.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 61140792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).