N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide

C14H16N2O2 — CID 114818581

IUPACN-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(N)c2)co1
InChIInChI=1S/C14H16N2O2/c1-9-6-12(8-18-9)14(17)16-10(2)11-4-3-5-13(15)7-11/h3-8,10H,15H2,1-2H3,(H,16,17)
InChIKeyJUSPBBYHCUCYMU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.66
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide

N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide (PubChem CID 114818581) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide
PubChem CID114818581
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(N)c2)co1
InChIInChI=1S/C14H16N2O2/c1-9-6-12(8-18-9)14(17)16-10(2)11-4-3-5-13(15)7-11/h3-8,10H,15H2,1-2H3,(H,16,17)
InChIKeyJUSPBBYHCUCYMU-UHFFFAOYSA-N
XLogP2.66
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.66
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

N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide
CID 43297646
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide
CID 43297726
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 43703392
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111
N-[1-(3-aminophenyl)ethyl]-2-methylsulfanylbenzamide
CID 78984463
N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
CID 79985275
N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide
CID 65214697
4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
CID 81361437
N-[1-(3-aminophenyl)ethyl]-2,5-dibromothiophene-3-carboxamide
CID 107959305
N-[1-(3-aminophenyl)ethyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309035

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide (CID 114818581) is N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NC(C)c2cccc(N)c2)co1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide?
The InChIKey is JUSPBBYHCUCYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-6-12(8-18-9)14(17)16-10(2)11-4-3-5-13(15)7-11/h3-8,10H,15H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide?
N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114818581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).