2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide

C19H18N2O5 — CID 51311556

IUPAC2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2occc2COc2ccccc2)c(C)o1
InChIInChI=1S/C19H18N2O5/c1-12-10-16(13(2)26-12)18(22)20-21-19(23)17-14(8-9-24-17)11-25-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFYXAHQQPZGICPM-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.14
Rot. Bonds5

About 2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide (PubChem CID 51311556) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide
PubChem CID51311556
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2occc2COc2ccccc2)c(C)o1
InChIInChI=1S/C19H18N2O5/c1-12-10-16(13(2)26-12)18(22)20-21-19(23)17-14(8-9-24-17)11-25-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFYXAHQQPZGICPM-UHFFFAOYSA-N
XLogP3.14
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17454230
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829
N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 78856715
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide (CID 51311556) is 2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2occc2COc2ccccc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide?
The InChIKey is FYXAHQQPZGICPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-12-10-16(13(2)26-12)18(22)20-21-19(23)17-14(8-9-24-17)11-25-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide has a molecular weight of 354.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide is sourced from PubChem (CID 51311556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).