N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide

C19H25NO3 — CID 121133057

IUPACN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCC(O)c2cc(C)oc2C)c(C)c1
InChIInChI=1S/C19H25NO3/c1-11-8-12(2)18(13(3)9-11)19(22)20-7-6-17(21)16-10-14(4)23-15(16)5/h8-10,17,21H,6-7H2,1-5H3,(H,20,22)
InChIKeyGFNVQOXPNDADMN-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.68
Rot. Bonds5

About N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide (PubChem CID 121133057) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide
PubChem CID121133057
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCC(O)c2cc(C)oc2C)c(C)c1
InChIInChI=1S/C19H25NO3/c1-11-8-12(2)18(13(3)9-11)19(22)20-7-6-17(21)16-10-14(4)23-15(16)5/h8-10,17,21H,6-7H2,1-5H3,(H,20,22)
InChIKeyGFNVQOXPNDADMN-UHFFFAOYSA-N
XLogP3.68
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethylbenzamide
CID 121133041
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
CID 121133019
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methylpropanamide
CID 121133010
2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide
CID 121133050
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
CID 121133006
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97042843
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide
CID 97042845
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-methyl-3-nitrobenzamide
CID 121133081
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide
CID 121133012
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 121133059
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide
CID 121133086

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide (CID 121133057) is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NCCC(O)c2cc(C)oc2C)c(C)c1.
What is the InChIKey of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide?
The InChIKey is GFNVQOXPNDADMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-11-8-12(2)18(13(3)9-11)19(22)20-7-6-17(21)16-10-14(4)23-15(16)5/h8-10,17,21H,6-7H2,1-5H3,(H,20,22).
What are the key properties of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide?
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide has a molecular weight of 315.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 121133057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).