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

C21H24N2O4 — CID 4953506

IUPACN'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-4-14-26-18-12-8-17(9-13-18)21(25)23-22-20(24)15(3)27-19-10-6-16(5-2)7-11-19/h4,6-13,15H,1,5,14H2,2-3H3,(H,22,24)(H,23,25)
InChIKeyBMSFHENIPMBGJK-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.04
Rot. Bonds8

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

N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide (PubChem CID 4953506) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide
PubChem CID4953506
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-4-14-26-18-12-8-17(9-13-18)21(25)23-22-20(24)15(3)27-19-10-6-16(5-2)7-11-19/h4,6-13,15H,1,5,14H2,2-3H3,(H,22,24)(H,23,25)
InChIKeyBMSFHENIPMBGJK-UHFFFAOYSA-N
XLogP3.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.04
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-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4953511
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 17141451
N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide
CID 9237602
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118
N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide
CID 54782181
3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide
CID 4953482
4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 55792697
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide
CID 9237504
N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4953445

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide (CID 4953506) is N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide is C=CCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(CC)cc2)cc1.
What is the InChIKey of N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide?
The InChIKey is BMSFHENIPMBGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-14-26-18-12-8-17(9-13-18)21(25)23-22-20(24)15(3)27-19-10-6-16(5-2)7-11-19/h4,6-13,15H,1,5,14H2,2-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide?
N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide has a molecular weight of 368.43 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 4953506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).