N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide

C18H22N2O3 — CID 5127775

IUPACN-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide
SMILESCCN(CCC(=O)NCc1ccccc1)C(=O)c1ccoc1C
InChIInChI=1S/C18H22N2O3/c1-3-20(18(22)16-10-12-23-14(16)2)11-9-17(21)19-13-15-7-5-4-6-8-15/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,19,21)
InChIKeyYIDQUOBXVNRTCW-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.76
Rot. Bonds7

About N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide

N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide (PubChem CID 5127775) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide
PubChem CID5127775
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide
SMILESCCN(CCC(=O)NCc1ccccc1)C(=O)c1ccoc1C
InChIInChI=1S/C18H22N2O3/c1-3-20(18(22)16-10-12-23-14(16)2)11-9-17(21)19-13-15-7-5-4-6-8-15/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,19,21)
InChIKeyYIDQUOBXVNRTCW-UHFFFAOYSA-N
XLogP2.76
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 5124108
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 18113075
N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide
CID 42779867
N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide
CID 42779908
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 42779801
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 1030489
N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 7261485
N-[3-(2-methoxyethylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 42779802
3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 5103103
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
N-benzyl-2-(diethylamino)acetamide
CID 969777

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide?
The IUPAC name of N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide (CID 5127775) is N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide is CCN(CCC(=O)NCc1ccccc1)C(=O)c1ccoc1C.
What is the InChIKey of N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide?
The InChIKey is YIDQUOBXVNRTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-20(18(22)16-10-12-23-14(16)2)11-9-17(21)19-13-15-7-5-4-6-8-15/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide?
N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide is sourced from PubChem (CID 5127775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).