3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide

C15H22N2O3 — CID 24543011

IUPAC3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide
SMILESCCC(Oc1ccccc1)C(=O)NNC(=O)CC(C)C
InChIInChI=1S/C15H22N2O3/c1-4-13(20-12-8-6-5-7-9-12)15(19)17-16-14(18)10-11(2)3/h5-9,11,13H,4,10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyGAUDJPVVFOUHBC-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.04
Rot. Bonds6

About 3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide

3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide (PubChem CID 24543011) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide.

Molecular Properties

Compound Name3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide
PubChem CID24543011
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide
SMILESCCC(Oc1ccccc1)C(=O)NNC(=O)CC(C)C
InChIInChI=1S/C15H22N2O3/c1-4-13(20-12-8-6-5-7-9-12)15(19)17-16-14(18)10-11(2)3/h5-9,11,13H,4,10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyGAUDJPVVFOUHBC-UHFFFAOYSA-N
XLogP2.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide
CID 4929692
N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide
CID 4929839
N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide
CID 17073544
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
N'-[2-(4-methoxyphenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide
CID 17073439
N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide
CID 102914465
3-methyl-N'-(2-phenylbutanoyl)butanehydrazide
CID 43020201
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide
CID 17073452
(2R)-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxybutanehydrazide
CID 40623782

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide?
The IUPAC name of 3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide (CID 24543011) is 3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide.
What is the SMILES notation for 3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide?
The canonical SMILES for 3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide is CCC(Oc1ccccc1)C(=O)NNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide?
The InChIKey is GAUDJPVVFOUHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-13(20-12-8-6-5-7-9-12)15(19)17-16-14(18)10-11(2)3/h5-9,11,13H,4,10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide?
3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide has a molecular weight of 278.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide is sourced from PubChem (CID 24543011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).