N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide

C10H13NO2 — CID 178173949

IUPACN-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCc1ccco1
InChIInChI=1S/C10H13NO2/c1-8(2)10(12)11-6-5-9-4-3-7-13-9/h3-4,7H,1,5-6H2,2H3,(H,11,12)
InChIKeyXGQOXEFUFVBVBV-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.51
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide

N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide (PubChem CID 178173949) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
PubChem CID178173949
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCc1ccco1
InChIInChI=1S/C10H13NO2/c1-8(2)10(12)11-6-5-9-4-3-7-13-9/h3-4,7H,1,5-6H2,2H3,(H,11,12)
InChIKeyXGQOXEFUFVBVBV-UHFFFAOYSA-N
XLogP1.51
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-(3-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]oxamide
CID 7584781
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731
3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
N-(furan-2-ylmethoxy)-2-methylprop-2-enamide
CID 134839007
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
2-amino-N-[2-(furan-2-yl)ethyl]butanamide
CID 43649605
methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 7585241
3-(ethylamino)-N-[2-(furan-2-yl)ethyl]propanamide
CID 62831565
N-[2-(furan-2-yl)ethyl]-4-hydroxypentanamide
CID 79201221
N'-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]oxamide
CID 7584904
2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide
CID 61471395

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide (CID 178173949) is N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide?
The InChIKey is XGQOXEFUFVBVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(2)10(12)11-6-5-9-4-3-7-13-9/h3-4,7H,1,5-6H2,2H3,(H,11,12).
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide?
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide has a molecular weight of 179.22 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 178173949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).