2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide

C22H22N4O4 — CID 155221310

IUPAC2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
SMILESNNC(=O)c1cc(OCc2ccccc2)c(C(=O)NN)cc1OCc1ccccc1
InChIInChI=1S/C22H22N4O4/c23-25-21(27)17-12-20(30-14-16-9-5-2-6-10-16)18(22(28)26-24)11-19(17)29-13-15-7-3-1-4-8-15/h1-12H,13-14,23-24H2,(H,25,27)(H,26,28)
InChIKeyNJDIDCXWALPMOI-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.05
Rot. Bonds8

About 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide

2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide (PubChem CID 155221310) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide.

Molecular Properties

Compound Name2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
PubChem CID155221310
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
SMILESNNC(=O)c1cc(OCc2ccccc2)c(C(=O)NN)cc1OCc1ccccc1
InChIInChI=1S/C22H22N4O4/c23-25-21(27)17-12-20(30-14-16-9-5-2-6-10-16)18(22(28)26-24)11-19(17)29-13-15-7-3-1-4-8-15/h1-12H,13-14,23-24H2,(H,25,27)(H,26,28)
InChIKeyNJDIDCXWALPMOI-UHFFFAOYSA-N
XLogP2.05
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.05
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'}

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Related Compounds

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
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170
4-[3,5-bis[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]phenyl]-2-phenylmethoxybenzohydrazide;4-[4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]phenyl]-2-phenylmethoxybenzohydrazide;2-phenylmethoxy-4-[3,6,8-tris[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]pyren-1-yl]benzohydrazide
CID 167662278
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
ethyl 4-[(2-amino-6-ethoxycarbonylphenyl)carbamoyl]-2,5-bis(phenylmethoxy)benzoate
CID 156852371
2-phenylmethoxybenzoyl chloride
CID 10999355
5-bromo-2,4-bis(phenylmethoxy)benzoyl chloride
CID 77174849
4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid
CID 66574423
5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide
CID 91681758
4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
benzyl 4-chloro-2-phenylmethoxybenzoate
CID 66989997

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide?
The IUPAC name of 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide (CID 155221310) is 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide.
What is the SMILES notation for 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide?
The canonical SMILES for 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide is NNC(=O)c1cc(OCc2ccccc2)c(C(=O)NN)cc1OCc1ccccc1.
What is the InChIKey of 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide?
The InChIKey is NJDIDCXWALPMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c23-25-21(27)17-12-20(30-14-16-9-5-2-6-10-16)18(22(28)26-24)11-19(17)29-13-15-7-3-1-4-8-15/h1-12H,13-14,23-24H2,(H,25,27)(H,26,28).
What are the key properties of 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide?
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide has a molecular weight of 406.44 g/mol, XLogP of 2.05, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide is sourced from PubChem (CID 155221310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).