3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide

C17H20N2O4 — CID 111481283

IUPAC3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NCC(C)(O)c2ccc(C)o2)c1
InChIInChI=1S/C17H20N2O4/c1-11-7-8-14(23-11)17(2,22)10-19-16(21)13-6-4-5-12(9-13)15(20)18-3/h4-9,22H,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyNUEJZDPPFKIKHK-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.59
Rot. Bonds5

About 3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide

3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide (PubChem CID 111481283) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
PubChem CID111481283
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NCC(C)(O)c2ccc(C)o2)c1
InChIInChI=1S/C17H20N2O4/c1-11-7-8-14(23-11)17(2,22)10-19-16(21)13-6-4-5-12(9-13)15(20)18-3/h4-9,22H,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyNUEJZDPPFKIKHK-UHFFFAOYSA-N
XLogP1.59
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,4-dimethylbenzamide
CID 111481218
5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide
CID 111481159
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methoxy-4-methylbenzamide
CID 111481052
4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide
CID 71869864
3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119630742
2-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481585
3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 111481571
1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide
CID 111481472
4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide
CID 133353126
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111912208

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide (CID 111481283) is 3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide is CNC(=O)c1cccc(C(=O)NCC(C)(O)c2ccc(C)o2)c1.
What is the InChIKey of 3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is NUEJZDPPFKIKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-7-8-14(23-11)17(2,22)10-19-16(21)13-6-4-5-12(9-13)15(20)18-3/h4-9,22H,10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide?
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 111481283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).