N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide

C13H19N3O2 — CID 94268169

IUPACN'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
SMILESCc1ccccc1CCC(=O)NNC(=O)CCN
InChIInChI=1S/C13H19N3O2/c1-10-4-2-3-5-11(10)6-7-12(17)15-16-13(18)8-9-14/h2-5H,6-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyTUUKEWNZUAPVFS-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.42
Rot. Bonds5

About N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide

N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide (PubChem CID 94268169) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide.

Molecular Properties

Compound NameN'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
PubChem CID94268169
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
SMILESCc1ccccc1CCC(=O)NNC(=O)CCN
InChIInChI=1S/C13H19N3O2/c1-10-4-2-3-5-11(10)6-7-12(17)15-16-13(18)8-9-14/h2-5H,6-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyTUUKEWNZUAPVFS-UHFFFAOYSA-N
XLogP0.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
N-ethoxy-3-(2-methylphenyl)propanamide
CID 63290155
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
CID 63765909
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid
CID 3036184
N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide
CID 62365496
N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119643019
N-(3-iodopropyl)-3-(2-methylphenyl)propanamide
CID 114504156
N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide
CID 114307883

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide?
The IUPAC name of N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide (CID 94268169) is N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide.
What is the SMILES notation for N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide?
The canonical SMILES for N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide is Cc1ccccc1CCC(=O)NNC(=O)CCN.
What is the InChIKey of N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide?
The InChIKey is TUUKEWNZUAPVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-4-2-3-5-11(10)6-7-12(17)15-16-13(18)8-9-14/h2-5H,6-9,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide?
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide has a molecular weight of 249.31 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide is sourced from PubChem (CID 94268169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).