5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide

C22H35N3O4 — CID 56546624

IUPAC5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NNC(=O)C(C)Oc1cccc(C)c1C
InChIInChI=1S/C22H35N3O4/c1-6-14-25(15-7-2)21(27)13-9-12-20(26)23-24-22(28)18(5)29-19-11-8-10-16(3)17(19)4/h8,10-11,18H,6-7,9,12-15H2,1-5H3,(H,23,26)(H,24,28)
InChIKeyLRLFNAPBIMCZHY-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.04
Rot. Bonds11

About 5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide

5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide (PubChem CID 56546624) has the molecular formula C22H35N3O4 and a molecular weight of 405.54 g/mol. Its IUPAC name is 5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide.

Molecular Properties

Compound Name5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
PubChem CID56546624
Molecular FormulaC22H35N3O4
Molecular Weight405.54 g/mol
Exact Mass405.26
IUPAC Name5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NNC(=O)C(C)Oc1cccc(C)c1C
InChIInChI=1S/C22H35N3O4/c1-6-14-25(15-7-2)21(27)13-9-12-20(26)23-24-22(28)18(5)29-19-11-8-10-16(3)17(19)4/h8,10-11,18H,6-7,9,12-15H2,1-5H3,(H,23,26)(H,24,28)
InChIKeyLRLFNAPBIMCZHY-UHFFFAOYSA-N
XLogP3.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide
CID 43004014
N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide
CID 43008320
5-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
CID 56546251
N'-[2-(2-methylphenoxy)propanoyl]hexanehydrazide
CID 4955584
2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide
CID 55862167
2-(2,3-dimethylphenoxy)-N'-[2-(4-ethoxyphenyl)acetyl]propanehydrazide
CID 78780492
2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide
CID 24547272
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
CID 55650544
[(2S,3S)-1-[2-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 9425353
2-(2,3-dimethylphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 24634640
2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 55341964
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide
CID 43006891

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide?
The IUPAC name of 5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide (CID 56546624) is 5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide.
What is the SMILES notation for 5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide?
The canonical SMILES for 5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide is CCCN(CCC)C(=O)CCCC(=O)NNC(=O)C(C)Oc1cccc(C)c1C.
What is the InChIKey of 5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide?
The InChIKey is LRLFNAPBIMCZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4/c1-6-14-25(15-7-2)21(27)13-9-12-20(26)23-24-22(28)18(5)29-19-11-8-10-16(3)17(19)4/h8,10-11,18H,6-7,9,12-15H2,1-5H3,(H,23,26)(H,24,28).
What are the key properties of 5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide?
5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide has a molecular weight of 405.54 g/mol, XLogP of 3.04, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide is sourced from PubChem (CID 56546624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).