N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide

C15H20N2O3 — CID 26798980

IUPACN'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide
SMILESCc1cccc(OCCCC(=O)NNC(=O)C2CC2)c1
InChIInChI=1S/C15H20N2O3/c1-11-4-2-5-13(10-11)20-9-3-6-14(18)16-17-15(19)12-7-8-12/h2,4-5,10,12H,3,6-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyZBUNGGBPXNTRIV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.71
Rot. Bonds6

About N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide

N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide (PubChem CID 26798980) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide
PubChem CID26798980
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide
SMILESCc1cccc(OCCCC(=O)NNC(=O)C2CC2)c1
InChIInChI=1S/C15H20N2O3/c1-11-4-2-5-13(10-11)20-9-3-6-14(18)16-17-15(19)12-7-8-12/h2,4-5,10,12H,3,6-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyZBUNGGBPXNTRIV-UHFFFAOYSA-N
XLogP1.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46438274
1-ethyl-3-[4-(3-methylphenoxy)butanoylamino]thiourea
CID 7977503
N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide
CID 51276836
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4795371
N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide
CID 62365265
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119457110
N-(1,1-dioxothiolan-3-yl)-4-(3-methylphenoxy)butanamide
CID 46558987
5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949760
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102238
1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119561175

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide?
The IUPAC name of N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide (CID 26798980) is N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide.
What is the SMILES notation for N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide?
The canonical SMILES for N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide is Cc1cccc(OCCCC(=O)NNC(=O)C2CC2)c1.
What is the InChIKey of N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide?
The InChIKey is ZBUNGGBPXNTRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-4-2-5-13(10-11)20-9-3-6-14(18)16-17-15(19)12-7-8-12/h2,4-5,10,12H,3,6-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide?
N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide has a molecular weight of 276.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide is sourced from PubChem (CID 26798980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).