N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide

C23H30N2O4 — CID 17169415

IUPACN'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide
SMILESCCCCCOc1ccccc1C(=O)NNC(=O)C(C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C23H30N2O4/c1-5-6-9-14-28-21-11-8-7-10-20(21)23(27)25-24-22(26)18(4)29-19-13-12-16(2)17(3)15-19/h7-8,10-13,15,18H,5-6,9,14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyYYDVVYNXNOTUPA-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.10
Rot. Bonds9

About N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide

N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide (PubChem CID 17169415) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide
PubChem CID17169415
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide
SMILESCCCCCOc1ccccc1C(=O)NNC(=O)C(C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C23H30N2O4/c1-5-6-9-14-28-21-11-8-7-10-20(21)23(27)25-24-22(26)18(4)29-19-13-12-16(2)17(3)15-19/h7-8,10-13,15,18H,5-6,9,14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyYYDVVYNXNOTUPA-UHFFFAOYSA-N
XLogP4.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]benzamide
CID 17169546
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide
CID 17169456
N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide
CID 4953512
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489
N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-hexoxybenzamide
CID 17169540
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 17169390
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 4942278
2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4952061
N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946756
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide?
The IUPAC name of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide (CID 17169415) is N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide.
What is the SMILES notation for N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide?
The canonical SMILES for N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide is CCCCCOc1ccccc1C(=O)NNC(=O)C(C)Oc1ccc(C)c(C)c1.
What is the InChIKey of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide?
The InChIKey is YYDVVYNXNOTUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-5-6-9-14-28-21-11-8-7-10-20(21)23(27)25-24-22(26)18(4)29-19-13-12-16(2)17(3)15-19/h7-8,10-13,15,18H,5-6,9,14H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide?
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide has a molecular weight of 398.50 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide is sourced from PubChem (CID 17169415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).