2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide

C14H16N2O3 — CID 81421132

IUPAC2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NCCc1ccco1
InChIInChI=1S/C14H16N2O3/c1-18-12-6-2-5-11(15)13(12)14(17)16-8-7-10-4-3-9-19-10/h2-6,9H,7-8,15H2,1H3,(H,16,17)
InChIKeyQJVZPPUXZLVHSN-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.84
Rot. Bonds5

About 2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide

2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide (PubChem CID 81421132) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide
PubChem CID81421132
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NCCc1ccco1
InChIInChI=1S/C14H16N2O3/c1-18-12-6-2-5-11(15)13(12)14(17)16-8-7-10-4-3-9-19-10/h2-6,9H,7-8,15H2,1H3,(H,16,17)
InChIKeyQJVZPPUXZLVHSN-UHFFFAOYSA-N
XLogP1.84
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide
CID 81395966
2-amino-6-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 81395621
2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 113386431
2-amino-6-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420398
2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 81420546
3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 112575697
2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide
CID 114154654
2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 106425219
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide?
The IUPAC name of 2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide (CID 81421132) is 2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide is COc1cccc(N)c1C(=O)NCCc1ccco1.
What is the InChIKey of 2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide?
The InChIKey is QJVZPPUXZLVHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-12-6-2-5-11(15)13(12)14(17)16-8-7-10-4-3-9-19-10/h2-6,9H,7-8,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide?
2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide has a molecular weight of 260.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide is sourced from PubChem (CID 81421132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).