2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide

C18H22N2O4 — CID 24817914

IUPAC2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)N(C)Cc1ccc(C)o1
InChIInChI=1S/C18H22N2O4/c1-13-8-9-14(24-13)12-20(2)17(21)10-11-19-18(22)15-6-4-5-7-16(15)23-3/h4-9H,10-12H2,1-3H3,(H,19,22)
InChIKeyWEXPQBQPFBHIAY-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.38
Rot. Bonds7

About 2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide

2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide (PubChem CID 24817914) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide
PubChem CID24817914
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)N(C)Cc1ccc(C)o1
InChIInChI=1S/C18H22N2O4/c1-13-8-9-14(24-13)12-20(2)17(21)10-11-19-18(22)15-6-4-5-7-16(15)23-3/h4-9H,10-12H2,1-3H3,(H,19,22)
InChIKeyWEXPQBQPFBHIAY-UHFFFAOYSA-N
XLogP2.38
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide (CID 24817914) is 2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide is COc1ccccc1C(=O)NCCC(=O)N(C)Cc1ccc(C)o1.
What is the InChIKey of 2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide?
The InChIKey is WEXPQBQPFBHIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13-8-9-14(24-13)12-20(2)17(21)10-11-19-18(22)15-6-4-5-7-16(15)23-3/h4-9H,10-12H2,1-3H3,(H,19,22).
What are the key properties of 2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide?
2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide has a molecular weight of 330.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24817914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).