4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide

C18H24N2O3 — CID 111478838

IUPAC4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
SMILESCc1cc(C(C)(O)CNC(=O)c2ccc(N(C)C)cc2)c(C)o1
InChIInChI=1S/C18H24N2O3/c1-12-10-16(13(2)23-12)18(3,22)11-19-17(21)14-6-8-15(9-7-14)20(4)5/h6-10,22H,11H2,1-5H3,(H,19,21)
InChIKeyYLHNEEFEEHZJMH-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.60
Rot. Bonds5

About 4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide

4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide (PubChem CID 111478838) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
PubChem CID111478838
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
SMILESCc1cc(C(C)(O)CNC(=O)c2ccc(N(C)C)cc2)c(C)o1
InChIInChI=1S/C18H24N2O3/c1-12-10-16(13(2)23-12)18(3,22)11-19-17(21)14-6-8-15(9-7-14)20(4)5/h6-10,22H,11H2,1-5H3,(H,19,21)
InChIKeyYLHNEEFEEHZJMH-UHFFFAOYSA-N
XLogP2.60
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111478813
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide
CID 111479066
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111479091
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
CID 111479170
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 71985014
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide
CID 111860663
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide
CID 111479009
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 111478937
N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 96518388

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide (CID 111478838) is 4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide is Cc1cc(C(C)(O)CNC(=O)c2ccc(N(C)C)cc2)c(C)o1.
What is the InChIKey of 4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide?
The InChIKey is YLHNEEFEEHZJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-10-16(13(2)23-12)18(3,22)11-19-17(21)14-6-8-15(9-7-14)20(4)5/h6-10,22H,11H2,1-5H3,(H,19,21).
What are the key properties of 4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide?
4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide has a molecular weight of 316.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 111478838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).