N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide

C17H20N2O4 — CID 78771954

IUPACN'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)CCc2ccco2)c1
InChIInChI=1S/C17H20N2O4/c1-12-8-13(2)10-15(9-12)23-11-17(21)19-18-16(20)6-5-14-4-3-7-22-14/h3-4,7-10H,5-6,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUBWIHYYQBSSXFU-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.06
Rot. Bonds6

About N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide

N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide (PubChem CID 78771954) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide
PubChem CID78771954
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)CCc2ccco2)c1
InChIInChI=1S/C17H20N2O4/c1-12-8-13(2)10-15(9-12)23-11-17(21)19-18-16(20)6-5-14-4-3-7-22-14/h3-4,7-10H,5-6,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUBWIHYYQBSSXFU-UHFFFAOYSA-N
XLogP2.06
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 110733552
3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17034727
N-[2-(furan-2-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110733528
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 26819079
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 909252
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656621
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide
CID 35767998
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 112973955
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830858
2-(2-chloro-6-fluorophenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]acetohydrazide
CID 30544669
2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 692240

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide (CID 78771954) is N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide is Cc1cc(C)cc(OCC(=O)NNC(=O)CCc2ccco2)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide?
The InChIKey is UBWIHYYQBSSXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-8-13(2)10-15(9-12)23-11-17(21)19-18-16(20)6-5-14-4-3-7-22-14/h3-4,7-10H,5-6,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide?
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide has a molecular weight of 316.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)propanehydrazide is sourced from PubChem (CID 78771954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).