N-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C20H27N3O3 — CID 2165977

IUPACN-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCC(C)c1ccc(OCc2ccc(C(=O)NN3CCN(C)CC3)o2)cc1
InChIInChI=1S/C20H27N3O3/c1-15(2)16-4-6-17(7-5-16)25-14-18-8-9-19(26-18)20(24)21-23-12-10-22(3)11-13-23/h4-9,15H,10-14H2,1-3H3,(H,21,24)
InChIKeyARHKIKCWHXLUBS-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.87
Rot. Bonds6

About N-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 2165977) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
PubChem CID2165977
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCC(C)c1ccc(OCc2ccc(C(=O)NN3CCN(C)CC3)o2)cc1
InChIInChI=1S/C20H27N3O3/c1-15(2)16-4-6-17(7-5-16)25-14-18-8-9-19(26-18)20(24)21-23-12-10-22(3)11-13-23/h4-9,15H,10-14H2,1-3H3,(H,21,24)
InChIKeyARHKIKCWHXLUBS-UHFFFAOYSA-N
XLogP2.87
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-Isopropyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 717029
5-[(3,5-Dimethylphenoxy)methyl]-2-furohydrazide
CID 726923
5-[(2-Naphthyloxy)methyl]-2-furohydrazide
CID 726927
5-[(4-tert-butylphenoxy)methyl]-N-propyl-2-furamide
CID 2166341
5-((4-(tert-Butyl)phenoxy)methyl)furan-2-carbohydrazide
CID 948639
2-Benzofurancarboxamide,3-methyl-N-4-morpholinyl-(9CI)
CID 1246938
N-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 4877347
4-{5-[(4-Isopropylphenoxy)methyl]-2-furoyl}-2,6-dimethylmorpholine
CID 2941555
1-{5-[(4-Tert-butylphenoxy)methyl]furan-2-carbonyl}-4-methylpiperazine
CID 9550332
5-[(3,4-Dimethylphenoxy)methyl]-2-furancarboxylic acid hydrazide
CID 717044
5-[(4-isopropylphenoxy)methyl]-N,N-dimethyl-2-furamide
CID 717167
5-[(2-Methoxy-4-propylphenoxy)methyl]furan-2-carbohydrazide
CID 950027

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 2165977) is N-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is CC(C)c1ccc(OCc2ccc(C(=O)NN3CCN(C)CC3)o2)cc1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is ARHKIKCWHXLUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15(2)16-4-6-17(7-5-16)25-14-18-8-9-19(26-18)20(24)21-23-12-10-22(3)11-13-23/h4-9,15H,10-14H2,1-3H3,(H,21,24).
What are the key properties of N-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
N-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 2165977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).