butyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate

C15H22N2O3 — CID 42631180

IUPACbutyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate
SMILESCCCCOC(=O)CCNNC(=O)c1cccc(C)c1
InChIInChI=1S/C15H22N2O3/c1-3-4-10-20-14(18)8-9-16-17-15(19)13-7-5-6-12(2)11-13/h5-7,11,16H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeyCBTJZPPVPXFZNO-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.96
Rot. Bonds8

About butyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate

butyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate (PubChem CID 42631180) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is butyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate.

Molecular Properties

Compound Namebutyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate
PubChem CID42631180
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namebutyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate
SMILESCCCCOC(=O)CCNNC(=O)c1cccc(C)c1
InChIInChI=1S/C15H22N2O3/c1-3-4-10-20-14(18)8-9-16-17-15(19)13-7-5-6-12(2)11-13/h5-7,11,16H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeyCBTJZPPVPXFZNO-UHFFFAOYSA-N
XLogP1.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

nonyl 3-[(3-methylbenzoyl)amino]propanoate
CID 91710771
N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide
CID 4950738
ethyl 4-[2-(3-methylbenzoyl)hydrazinyl]-4-oxobutanoate
CID 5119710
3-methyl-N'-octanoylbenzohydrazide
CID 2218282
heptadecyl 3-methylbenzoate
CID 530478
2-phenylethyl 4-[2-(3-methylbenzoyl)hydrazinyl]-4-oxobutanoate
CID 4946923
nonyl 3-[(3-methoxybenzoyl)amino]propanoate
CID 91715386
N'-[4-(2-methoxyethoxy)benzoyl]-3-methylbenzohydrazide
CID 17353579
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
4-hexoxy-N-[[(3-methylbenzoyl)amino]carbamothioyl]benzamide
CID 4934547
N'-butyl-3-fluorobenzohydrazide
CID 118418454
1-O-hexyl 4-O-(3-methylphenyl) butanedioate
CID 91702060

Frequently Asked Questions

What is the IUPAC name of butyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate?
The IUPAC name of butyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate (CID 42631180) is butyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate.
What is the SMILES notation for butyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate?
The canonical SMILES for butyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate is CCCCOC(=O)CCNNC(=O)c1cccc(C)c1.
What is the InChIKey of butyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate?
The InChIKey is CBTJZPPVPXFZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-4-10-20-14(18)8-9-16-17-15(19)13-7-5-6-12(2)11-13/h5-7,11,16H,3-4,8-10H2,1-2H3,(H,17,19).
What are the key properties of butyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate?
butyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate has a molecular weight of 278.35 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate is sourced from PubChem (CID 42631180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).