N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide

C16H18N2O3 — CID 2978176

IUPACN-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O3/c1-12-4-6-13(7-5-12)16(20)17-9-8-15(19)18-11-14-3-2-10-21-14/h2-7,10H,8-9,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyJMMACEOLDBMOQB-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.02
Rot. Bonds6

About N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide

N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide (PubChem CID 2978176) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide
PubChem CID2978176
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O3/c1-12-4-6-13(7-5-12)16(20)17-9-8-15(19)18-11-14-3-2-10-21-14/h2-7,10H,8-9,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyJMMACEOLDBMOQB-UHFFFAOYSA-N
XLogP2.02
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide?
The IUPAC name of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide (CID 2978176) is N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide?
The canonical SMILES for N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide?
The InChIKey is JMMACEOLDBMOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-4-6-13(7-5-12)16(20)17-9-8-15(19)18-11-14-3-2-10-21-14/h2-7,10H,8-9,11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide?
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-methylbenzamide is sourced from PubChem (CID 2978176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).