5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide

C22H35N3O5 — CID 56546251

IUPAC5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NNC(=O)C(C)Oc1ccc(OCC)cc1
InChIInChI=1S/C22H35N3O5/c1-5-15-25(16-6-2)21(27)10-8-9-20(26)23-24-22(28)17(4)30-19-13-11-18(12-14-19)29-7-3/h11-14,17H,5-10,15-16H2,1-4H3,(H,23,26)(H,24,28)
InChIKeyYGFICBHHPSCBNZ-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.82
Rot. Bonds13

About 5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide

5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide (PubChem CID 56546251) has the molecular formula C22H35N3O5 and a molecular weight of 421.54 g/mol. Its IUPAC name is 5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide.

Molecular Properties

Compound Name5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
PubChem CID56546251
Molecular FormulaC22H35N3O5
Molecular Weight421.54 g/mol
Exact Mass421.26
IUPAC Name5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NNC(=O)C(C)Oc1ccc(OCC)cc1
InChIInChI=1S/C22H35N3O5/c1-5-15-25(16-6-2)21(27)10-8-9-20(26)23-24-22(28)17(4)30-19-13-11-18(12-14-19)29-7-3/h11-14,17H,5-10,15-16H2,1-4H3,(H,23,26)(H,24,28)
InChIKeyYGFICBHHPSCBNZ-UHFFFAOYSA-N
XLogP2.82
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(4-ethoxyphenoxy)propanoyl]-4-phenoxybutanehydrazide
CID 43003788
5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
CID 56546624
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
CID 43060076
2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide
CID 43056945
(2R)-2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 8573981
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 78727477
(2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide
CID 9343061
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
(2R)-N'-(2-cyclopentylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343458
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea
CID 8768164

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide?
The IUPAC name of 5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide (CID 56546251) is 5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide.
What is the SMILES notation for 5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide?
The canonical SMILES for 5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide is CCCN(CCC)C(=O)CCCC(=O)NNC(=O)C(C)Oc1ccc(OCC)cc1.
What is the InChIKey of 5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide?
The InChIKey is YGFICBHHPSCBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O5/c1-5-15-25(16-6-2)21(27)10-8-9-20(26)23-24-22(28)17(4)30-19-13-11-18(12-14-19)29-7-3/h11-14,17H,5-10,15-16H2,1-4H3,(H,23,26)(H,24,28).
What are the key properties of 5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide?
5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide has a molecular weight of 421.54 g/mol, XLogP of 2.82, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide is sourced from PubChem (CID 56546251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).