1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide

C20H26N4O4 — CID 138619746

IUPAC1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide
SMILESCCCOc1ccc(NNC(=O)C(=O)NNc2ccc(OCCC)cc2)cc1
InChIInChI=1S/C20H26N4O4/c1-3-13-27-17-9-5-15(6-10-17)21-23-19(25)20(26)24-22-16-7-11-18(12-8-16)28-14-4-2/h5-12,21-22H,3-4,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYKXDXYSEKKXDQY-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.85
Rot. Bonds10

About 1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide

1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide (PubChem CID 138619746) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide.

Molecular Properties

Compound Name1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide
PubChem CID138619746
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide
SMILESCCCOc1ccc(NNC(=O)C(=O)NNc2ccc(OCCC)cc2)cc1
InChIInChI=1S/C20H26N4O4/c1-3-13-27-17-9-5-15(6-10-17)21-23-19(25)20(26)24-22-16-7-11-18(12-8-16)28-14-4-2/h5-12,21-22H,3-4,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYKXDXYSEKKXDQY-UHFFFAOYSA-N
XLogP2.85
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-propoxyanilino)formamide
CID 70440281
N-ethyl-N'-(4-propoxyphenyl)oxamide
CID 124624762
2-(4-propoxyanilino)acetic acid
CID 15310375
1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 54820943
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide
CID 124624780
N-pentyl-N'-(4-propoxyphenyl)oxamide
CID 124624768
2-hydroxyethyl N-(4-propoxyphenyl)carbamate
CID 79348792
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
2-[(4-propoxyanilino)methylidene]propanedioic acid
CID 18784127

Frequently Asked Questions

What is the IUPAC name of 1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide?
The IUPAC name of 1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide (CID 138619746) is 1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide.
What is the SMILES notation for 1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide?
The canonical SMILES for 1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide is CCCOc1ccc(NNC(=O)C(=O)NNc2ccc(OCCC)cc2)cc1.
What is the InChIKey of 1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide?
The InChIKey is YKXDXYSEKKXDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-3-13-27-17-9-5-15(6-10-17)21-23-19(25)20(26)24-22-16-7-11-18(12-8-16)28-14-4-2/h5-12,21-22H,3-4,13-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide?
1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide has a molecular weight of 386.45 g/mol, XLogP of 2.85, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide is sourced from PubChem (CID 138619746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).