1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide

C26H26N4O6 — CID 137456577

IUPAC1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide
SMILESCC(Oc1ccccc1)C(=O)N(N)C(=O)c1ccc(C(=O)N(N)C(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C26H26N4O6/c1-17(35-21-9-5-3-6-10-21)23(31)29(27)25(33)19-13-15-20(16-14-19)26(34)30(28)24(32)18(2)36-22-11-7-4-8-12-22/h3-18H,27-28H2,1-2H3
InChIKeyTWAPHPKNHXQBAA-UHFFFAOYSA-N
MW490.52 g/mol
LogP2.31
Rot. Bonds8

About 1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide

1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide (PubChem CID 137456577) has the molecular formula C26H26N4O6 and a molecular weight of 490.52 g/mol. Its IUPAC name is 1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide.

Molecular Properties

Compound Name1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide
PubChem CID137456577
Molecular FormulaC26H26N4O6
Molecular Weight490.52 g/mol
Exact Mass490.19
IUPAC Name1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide
SMILESCC(Oc1ccccc1)C(=O)N(N)C(=O)c1ccc(C(=O)N(N)C(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C26H26N4O6/c1-17(35-21-9-5-3-6-10-21)23(31)29(27)25(33)19-13-15-20(16-14-19)26(34)30(28)24(32)18(2)36-22-11-7-4-8-12-22/h3-18H,27-28H2,1-2H3
InChIKeyTWAPHPKNHXQBAA-UHFFFAOYSA-N
XLogP2.31
TPSA145.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

(2S)-N-methoxy-N-methyl-2-phenoxypropanamide
CID 95297395
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide
CID 8503969
2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide
CID 4940214
methyl N-amino-N-benzoylcarbamate
CID 69339963
N-methyl-2-phenoxypropanamide
CID 4626974
4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 40895940
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
methoxycarbonyl 2-phenoxypropanoate
CID 174370299
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide?
The IUPAC name of 1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide (CID 137456577) is 1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide.
What is the SMILES notation for 1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide?
The canonical SMILES for 1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide is CC(Oc1ccccc1)C(=O)N(N)C(=O)c1ccc(C(=O)N(N)C(=O)C(C)Oc2ccccc2)cc1.
What is the InChIKey of 1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide?
The InChIKey is TWAPHPKNHXQBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O6/c1-17(35-21-9-5-3-6-10-21)23(31)29(27)25(33)19-13-15-20(16-14-19)26(34)30(28)24(32)18(2)36-22-11-7-4-8-12-22/h3-18H,27-28H2,1-2H3.
What are the key properties of 1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide?
1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide has a molecular weight of 490.52 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide is sourced from PubChem (CID 137456577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).