N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide

C18H22N2O4 — CID 5124108

IUPACN-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
SMILESCCONC(=O)CCN(Cc1ccccc1)C(=O)c1ccoc1C
InChIInChI=1S/C18H22N2O4/c1-3-24-19-17(21)9-11-20(13-15-7-5-4-6-8-15)18(22)16-10-12-23-14(16)2/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,19,21)
InChIKeyZSUOONCIGJTDSM-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.69
Rot. Bonds8

About N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide

N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide (PubChem CID 5124108) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
PubChem CID5124108
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
SMILESCCONC(=O)CCN(Cc1ccccc1)C(=O)c1ccoc1C
InChIInChI=1S/C18H22N2O4/c1-3-24-19-17(21)9-11-20(13-15-7-5-4-6-8-15)18(22)16-10-12-23-14(16)2/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,19,21)
InChIKeyZSUOONCIGJTDSM-UHFFFAOYSA-N
XLogP2.69
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide
CID 42779867
N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide
CID 5127775
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 1030489
[2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663083
N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 1030509
N-benzyl-N-[3-(tert-butylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 4154565
3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 5103103
ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
CID 51095282
N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 7261485
N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide
CID 3673721
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757
N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 91653094

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide (CID 5124108) is N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide is CCONC(=O)CCN(Cc1ccccc1)C(=O)c1ccoc1C.
What is the InChIKey of N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide?
The InChIKey is ZSUOONCIGJTDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-24-19-17(21)9-11-20(13-15-7-5-4-6-8-15)18(22)16-10-12-23-14(16)2/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,19,21).
What are the key properties of N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide?
N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 5124108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).