N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide

C14H16N2O3 — CID 94273188

IUPACN-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCN)o2)cc1
InChIInChI=1S/C14H16N2O3/c1-18-11-4-2-10(3-5-11)12-6-7-13(19-12)14(17)16-9-8-15/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeyVLTNSBMRVMTJGN-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.64
Rot. Bonds5

About N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide

N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide (PubChem CID 94273188) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide
PubChem CID94273188
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCN)o2)cc1
InChIInChI=1S/C14H16N2O3/c1-18-11-4-2-10(3-5-11)12-6-7-13(19-12)14(17)16-9-8-15/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeyVLTNSBMRVMTJGN-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 50959187
5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 30755667
5-(4-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]furan-2-carboxamide
CID 131931769
5-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]furan-2-carboxamide
CID 131941260
5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119502712
5-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 29368987
5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide
CID 4919266
5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119432467
5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide
CID 24503555
methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
CID 37351586
N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 56968146
5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
CID 18286334

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide (CID 94273188) is N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide is COc1ccc(-c2ccc(C(=O)NCCN)o2)cc1.
What is the InChIKey of N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide?
The InChIKey is VLTNSBMRVMTJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-11-4-2-10(3-5-11)12-6-7-13(19-12)14(17)16-9-8-15/h2-7H,8-9,15H2,1H3,(H,16,17).
What are the key properties of N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide?
N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 94273188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).