N-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide

C16H19NO4 — CID 95125149

IUPACN-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)C[C@H](O)CO)cc2)o1
InChIInChI=1S/C16H19NO4/c1-11-3-8-15(21-11)12-4-6-13(7-5-12)16(20)17(2)9-14(19)10-18/h3-8,14,18-19H,9-10H2,1-2H3/t14-/m0/s1
InChIKeyZALROQGDZJDZNC-AWEZNQCLSA-N
MW289.33 g/mol
LogP1.68
Rot. Bonds5

About N-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide

N-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide (PubChem CID 95125149) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide
PubChem CID95125149
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)C[C@H](O)CO)cc2)o1
InChIInChI=1S/C16H19NO4/c1-11-3-8-15(21-11)12-4-6-13(7-5-12)16(20)17(2)9-14(19)10-18/h3-8,14,18-19H,9-10H2,1-2H3/t14-/m0/s1
InChIKeyZALROQGDZJDZNC-AWEZNQCLSA-N
XLogP1.68
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide?
The IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide (CID 95125149) is N-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide.
What is the SMILES notation for N-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide?
The canonical SMILES for N-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide is Cc1ccc(-c2ccc(C(=O)N(C)C[C@H](O)CO)cc2)o1.
What is the InChIKey of N-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide?
The InChIKey is ZALROQGDZJDZNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11-3-8-15(21-11)12-4-6-13(7-5-12)16(20)17(2)9-14(19)10-18/h3-8,14,18-19H,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide?
N-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide has a molecular weight of 289.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide is sourced from PubChem (CID 95125149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).