N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide

C20H22N2O4 — CID 17045713

IUPACN'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)c1ccccc1OC(C)C
InChIInChI=1S/C20H22N2O4/c1-4-13-25-17-11-7-5-9-15(17)19(23)21-22-20(24)16-10-6-8-12-18(16)26-14(2)3/h4-12,14H,1,13H2,2-3H3,(H,21,23)(H,22,24)
InChIKeyVRESCHKPYJNLLV-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.11
Rot. Bonds7

About N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide

N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide (PubChem CID 17045713) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
PubChem CID17045713
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)c1ccccc1OC(C)C
InChIInChI=1S/C20H22N2O4/c1-4-13-25-17-11-7-5-9-15(17)19(23)21-22-20(24)16-10-6-8-12-18(16)26-14(2)3/h4-12,14H,1,13H2,2-3H3,(H,21,23)(H,22,24)
InChIKeyVRESCHKPYJNLLV-UHFFFAOYSA-N
XLogP3.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-[2-(2-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide
CID 4932333
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
N'-hexanoyl-2-prop-2-enoxybenzohydrazide
CID 4953986
tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate
CID 137320522
N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929142
N'-heptanoyl-2-prop-2-enoxybenzohydrazide
CID 54789258
2,2-dimethyl-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]propanamide
CID 4929555
N'-(cyclopropanecarbonyl)-2-prop-2-enoxybenzohydrazide
CID 4929134
N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide
CID 113278524
N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide
CID 4981545
3,5-dichloro-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17133664
N'-[2-(4-methoxyphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929179

Frequently Asked Questions

What is the IUPAC name of N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide (CID 17045713) is N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide is C=CCOc1ccccc1C(=O)NNC(=O)c1ccccc1OC(C)C.
What is the InChIKey of N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide?
The InChIKey is VRESCHKPYJNLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-13-25-17-11-7-5-9-15(17)19(23)21-22-20(24)16-10-6-8-12-18(16)26-14(2)3/h4-12,14H,1,13H2,2-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide?
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide has a molecular weight of 354.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 17045713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).