4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide

C22H26N4O4 — CID 155213251

IUPAC4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide
SMILESCCCOc1cc(C#Cc2ccc(C(=O)NN)c(OCCC)c2)ccc1C(=O)NN
InChIInChI=1S/C22H26N4O4/c1-3-11-29-19-13-15(7-9-17(19)21(27)25-23)5-6-16-8-10-18(22(28)26-24)20(14-16)30-12-4-2/h7-10,13-14H,3-4,11-12,23-24H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyKCWHJXJPFPNSRB-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.87
Rot. Bonds8

About 4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide

4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide (PubChem CID 155213251) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide.

Molecular Properties

Compound Name4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide
PubChem CID155213251
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide
SMILESCCCOc1cc(C#Cc2ccc(C(=O)NN)c(OCCC)c2)ccc1C(=O)NN
InChIInChI=1S/C22H26N4O4/c1-3-11-29-19-13-15(7-9-17(19)21(27)25-23)5-6-16-8-10-18(22(28)26-24)20(14-16)30-12-4-2/h7-10,13-14H,3-4,11-12,23-24H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyKCWHJXJPFPNSRB-UHFFFAOYSA-N
XLogP1.87
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane
CID 155712909
4-fluoro-N-methyl-2-propoxybenzamide
CID 176894909
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide
CID 167560390
2-pentoxybenzohydrazide
CID 54793215
2-butoxy-5-chlorobenzohydrazide
CID 54795706
propyl 4-(cyanomethyl)-2-propoxybenzoate
CID 21261905
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
3-(4-propoxyphenoxy)propanehydrazide
CID 63576064
2-(hydroxymethoxy)-4-[2-(4-propoxyphenyl)ethynyl]benzaldehyde
CID 143982762
2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide
CID 156631192
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
2-methoxybenzohydrazide
CID 24051

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide?
The IUPAC name of 4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide (CID 155213251) is 4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide.
What is the SMILES notation for 4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide?
The canonical SMILES for 4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide is CCCOc1cc(C#Cc2ccc(C(=O)NN)c(OCCC)c2)ccc1C(=O)NN.
What is the InChIKey of 4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide?
The InChIKey is KCWHJXJPFPNSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-3-11-29-19-13-15(7-9-17(19)21(27)25-23)5-6-16-8-10-18(22(28)26-24)20(14-16)30-12-4-2/h7-10,13-14H,3-4,11-12,23-24H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide?
4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide has a molecular weight of 410.47 g/mol, XLogP of 1.87, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide is sourced from PubChem (CID 155213251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).