2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide

C23H31N3O4 — CID 86946294

IUPAC2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCCOCC1CCN(C(C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1
InChIInChI=1S/C23H31N3O4/c1-3-29-16-18-10-12-26(13-11-18)17(2)22(27)25-21-9-5-4-8-20(21)23(28)24-15-19-7-6-14-30-19/h4-9,14,17-18H,3,10-13,15-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyKBVRKWTXKDOAKU-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.29
Rot. Bonds9

About 2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide

2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 86946294) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID86946294
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCCOCC1CCN(C(C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1
InChIInChI=1S/C23H31N3O4/c1-3-29-16-18-10-12-26(13-11-18)17(2)22(27)25-21-9-5-4-8-20(21)23(28)24-15-19-7-6-14-30-19/h4-9,14,17-18H,3,10-13,15-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyKBVRKWTXKDOAKU-UHFFFAOYSA-N
XLogP3.29
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide
CID 86928259
ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8773092
2-[[2-(2-ethoxyethoxy)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17122769
N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide
CID 87018409
2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 112811103
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 115301891
2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 4932109
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
CID 112730735
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1317708
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923638
N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 94821891

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide (CID 86946294) is 2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide is CCOCC1CCN(C(C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1.
What is the InChIKey of 2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is KBVRKWTXKDOAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-3-29-16-18-10-12-26(13-11-18)17(2)22(27)25-21-9-5-4-8-20(21)23(28)24-15-19-7-6-14-30-19/h4-9,14,17-18H,3,10-13,15-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide?
2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 413.52 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 86946294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).