propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate

C20H29N3O4 — CID 4927526

IUPACpropyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NN=C2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C20H29N3O4/c1-4-13-26-20(25)16-5-7-18(8-6-16)27-14-19(24)22-21-17-9-11-23(12-10-17)15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,22,24)
InChIKeyIZXAGMSAHKSDLN-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.61
Rot. Bonds8

About propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate

propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate (PubChem CID 4927526) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate.

Molecular Properties

Compound Namepropyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate
PubChem CID4927526
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Namepropyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NN=C2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C20H29N3O4/c1-4-13-26-20(25)16-5-7-18(8-6-16)27-14-19(24)22-21-17-9-11-23(12-10-17)15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,22,24)
InChIKeyIZXAGMSAHKSDLN-UHFFFAOYSA-N
XLogP2.61
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 54786846
propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate
CID 4927337
2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
CID 4193527
propyl 4-[2-oxo-2-[2-[4-[[[2-(4-propoxycarbonylphenoxy)acetyl]amino]carbamoyl]cyclohexanecarbonyl]hydrazinyl]ethoxy]benzoate
CID 4928350
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
CID 4927468
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide
CID 3293640
propyl 4-[2-[2-[(5-methylthiophen-2-yl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927244
2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
CID 4196468
2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide
CID 4924335
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
propyl 4-[2-[2-(4-butan-2-yloxybenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 17141452
propyl 4-butoxybenzoate
CID 43389566

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate?
The IUPAC name of propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate (CID 4927526) is propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate.
What is the SMILES notation for propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate?
The canonical SMILES for propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate is CCCOC(=O)c1ccc(OCC(=O)NN=C2CCN(C(C)C)CC2)cc1.
What is the InChIKey of propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate?
The InChIKey is IZXAGMSAHKSDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-13-26-20(25)16-5-7-18(8-6-16)27-14-19(24)22-21-17-9-11-23(12-10-17)15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,22,24).
What are the key properties of propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate?
propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate has a molecular weight of 375.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate is sourced from PubChem (CID 4927526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).