N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide

C23H28N2O3 — CID 54782181

IUPACN'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)C(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-5-14-28-21-12-10-20(11-13-21)23(27)25-24-22(26)17(4)19-8-6-18(7-9-19)15-16(2)3/h5-13,16-17H,1,14-15H2,2-4H3,(H,24,26)(H,25,27)
InChIKeyZYRFURJKRQUCRM-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.01
Rot. Bonds8

About N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide

N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide (PubChem CID 54782181) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide
PubChem CID54782181
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)C(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-5-14-28-21-12-10-20(11-13-21)23(27)25-24-22(26)17(4)19-8-6-18(7-9-19)15-16(2)3/h5-13,16-17H,1,14-15H2,2-4H3,(H,24,26)(H,25,27)
InChIKeyZYRFURJKRQUCRM-UHFFFAOYSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropoxy)-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide
CID 54782195
3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide
CID 54782152
N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide
CID 4953506
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782165
N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 17141451
N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 54782194
N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
CID 54790852
4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide
CID 17177445
1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide
CID 4926340
N'-[2-(4-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925883
N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782020

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide (CID 54782181) is N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide is C=CCOc1ccc(C(=O)NNC(=O)C(C)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide?
The InChIKey is ZYRFURJKRQUCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-5-14-28-21-12-10-20(11-13-21)23(27)25-24-22(26)17(4)19-8-6-18(7-9-19)15-16(2)3/h5-13,16-17H,1,14-15H2,2-4H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide?
N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide has a molecular weight of 380.49 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 54782181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).