N-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide

C14H16N2O3 — CID 58219004

IUPACN-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
SMILESCC1(c2ccccc2)OC(C(=O)NCCN)=CC1=O
InChIInChI=1S/C14H16N2O3/c1-14(10-5-3-2-4-6-10)12(17)9-11(19-14)13(18)16-8-7-15/h2-6,9H,7-8,15H2,1H3,(H,16,18)
InChIKeyVARWFKQUCLWZTC-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.46
Rot. Bonds4

About N-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide

N-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide (PubChem CID 58219004) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
PubChem CID58219004
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
SMILESCC1(c2ccccc2)OC(C(=O)NCCN)=CC1=O
InChIInChI=1S/C14H16N2O3/c1-14(10-5-3-2-4-6-10)12(17)9-11(19-14)13(18)16-8-7-15/h2-6,9H,7-8,15H2,1H3,(H,16,18)
InChIKeyVARWFKQUCLWZTC-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-oxo-N-propyl-1H-isochromene-3-carboxamide
CID 5163330
N-(2-acetamidoethyl)-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide
CID 16003306
N-[2-(dimethylamino)ethyl]-2-ethoxy-2,2-diphenylacetamide
CID 29248
2-(2-fluorophenyl)-2-methoxy-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]propanamide
CID 122158208
(2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]propanamide
CID 125532140
(2R)-2-(2-fluorophenyl)-2-methoxy-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]propanamide
CID 125532141
N-[2-(dimethylamino)ethyl]-6-fluoro-1-oxo-1H-isochromene-3-carboxamide
CID 172004314
[1-(Ethylamino)-1-oxo-2-phenylpropan-2-yl] acetate
CID 20283350
[1-(Ethylamino)-1-oxo-2-phenylpropan-2-yl] carbamate
CID 21161215
N-(2-(5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenamidoethyl)-5-methyl-4-oxo-5-phenyl-4,5-dihydrofuran-2-carboxamide
CID 51348449
N-[2-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 51348450
N-[2-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl-methylamino]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 51348452

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide (CID 58219004) is N-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide is CC1(c2ccccc2)OC(C(=O)NCCN)=CC1=O.
What is the InChIKey of N-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide?
The InChIKey is VARWFKQUCLWZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(10-5-3-2-4-6-10)12(17)9-11(19-14)13(18)16-8-7-15/h2-6,9H,7-8,15H2,1H3,(H,16,18).
What are the key properties of N-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide?
N-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-methyl-4-oxo-5-phenylfuran-2-carboxamide is sourced from PubChem (CID 58219004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).