5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide

C18H19NO5 — CID 6618802

IUPAC5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide
SMILESCc1cc(C)cc(OCc2ccc(C(=O)NC3CCOC3=O)o2)c1
InChIInChI=1S/C18H19NO5/c1-11-7-12(2)9-14(8-11)23-10-13-3-4-16(24-13)17(20)19-15-5-6-22-18(15)21/h3-4,7-9,15H,5-6,10H2,1-2H3,(H,19,20)
InChIKeyACQXGSOGSVHVAV-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.52
Rot. Bonds5

About 5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide

5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide (PubChem CID 6618802) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide
PubChem CID6618802
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide
SMILESCc1cc(C)cc(OCc2ccc(C(=O)NC3CCOC3=O)o2)c1
InChIInChI=1S/C18H19NO5/c1-11-7-12(2)9-14(8-11)23-10-13-3-4-16(24-13)17(20)19-15-5-6-22-18(15)21/h3-4,7-9,15H,5-6,10H2,1-2H3,(H,19,20)
InChIKeyACQXGSOGSVHVAV-UHFFFAOYSA-N
XLogP2.52
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Furan-2-carboxamide deriv., 19
CID 44236905
[5-(4-Isopropyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 717029
5-[(4-ethoxyphenoxy)methyl]-N-isopropyl-2-furamide
CID 892168
5-[(4-tert-butylphenoxy)methyl]-N-isopropyl-2-furamide
CID 892519
5-[(4-Methoxy-benzoylamino)-methyl]-furan-2-carboxylic acid
CID 976896
[5-(3,4-Dimethyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 1084328
[5-(4-Propyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 1091762
5-[(2-methoxy-4-propylphenoxy)methyl]-N-propyl-2-furamide
CID 2166253
5-[(4-tert-butylphenoxy)methyl]-N-propyl-2-furamide
CID 2166341
5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)-2-furamide
CID 2942268
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2120540
5-[(4-methylphenoxy)methyl]-N-propyl-2-furamide
CID 2200397

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide (CID 6618802) is 5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide is Cc1cc(C)cc(OCc2ccc(C(=O)NC3CCOC3=O)o2)c1.
What is the InChIKey of 5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide?
The InChIKey is ACQXGSOGSVHVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-11-7-12(2)9-14(8-11)23-10-13-3-4-16(24-13)17(20)19-15-5-6-22-18(15)21/h3-4,7-9,15H,5-6,10H2,1-2H3,(H,19,20).
What are the key properties of 5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide?
5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxooxolan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 6618802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).