4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide

C20H24N2O3 — CID 94002601

IUPAC4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide
SMILESC[C@H]1C[C@H]1c1ccc(CCC(=O)N(C)Cc2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C20H24N2O3/c1-13-11-17(13)18-9-7-16(25-18)8-10-19(23)22(2)12-14-3-5-15(6-4-14)20(21)24/h3-7,9,13,17H,8,10-12H2,1-2H3,(H2,21,24)/t13-,17+/m0/s1
InChIKeyPLTVWPNGCNLFDH-SUMWQHHRSA-N
MW340.42 g/mol
LogP3.09
Rot. Bonds7

About 4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide

4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide (PubChem CID 94002601) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide
PubChem CID94002601
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide
SMILESC[C@H]1C[C@H]1c1ccc(CCC(=O)N(C)Cc2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C20H24N2O3/c1-13-11-17(13)18-9-7-16(25-18)8-10-19(23)22(2)12-14-3-5-15(6-4-14)20(21)24/h3-7,9,13,17H,8,10-12H2,1-2H3,(H2,21,24)/t13-,17+/m0/s1
InChIKeyPLTVWPNGCNLFDH-SUMWQHHRSA-N
XLogP3.09
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide?
The IUPAC name of 4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide (CID 94002601) is 4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide is C[C@H]1C[C@H]1c1ccc(CCC(=O)N(C)Cc2ccc(C(N)=O)cc2)o1.
What is the InChIKey of 4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide?
The InChIKey is PLTVWPNGCNLFDH-SUMWQHHRSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-11-17(13)18-9-7-16(25-18)8-10-19(23)22(2)12-14-3-5-15(6-4-14)20(21)24/h3-7,9,13,17H,8,10-12H2,1-2H3,(H2,21,24)/t13-,17+/m0/s1.
What are the key properties of 4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide?
4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]methyl]benzamide is sourced from PubChem (CID 94002601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).