N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide

C16H22N2O3 — CID 51155331

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)C2CC2C)c1C
InChIInChI=1S/C16H22N2O3/c1-9-6-5-7-14(11(9)3)21-12(4)15(19)17-18-16(20)13-8-10(13)2/h5-7,10,12-13H,8H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyBRQNQXKCHABSMX-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.87
Rot. Bonds4

About N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide

N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide (PubChem CID 51155331) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide
PubChem CID51155331
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)C2CC2C)c1C
InChIInChI=1S/C16H22N2O3/c1-9-6-5-7-14(11(9)3)21-12(4)15(19)17-18-16(20)13-8-10(13)2/h5-7,10,12-13H,8H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyBRQNQXKCHABSMX-UHFFFAOYSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.87
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

cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide
CID 97007262
tert-butyl 4-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamoyl]piperidine-1-carboxylate
CID 9425375
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
(2R)-N-cyclopropyl-2-(2,3-dimethylphenoxy)propanamide
CID 39717598
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
CID 55650544
2-(2,3-dimethylphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 24634640
N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
CID 46771593
N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide
CID 43004014
(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride
CID 51663755
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide (CID 51155331) is N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)C2CC2C)c1C.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide?
The InChIKey is BRQNQXKCHABSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-9-6-5-7-14(11(9)3)21-12(4)15(19)17-18-16(20)13-8-10(13)2/h5-7,10,12-13H,8H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide has a molecular weight of 290.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 51155331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).