hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate

C12H19N3O2 — CID 66337672

IUPAChydrazinyl 3-(N-ethyl-3-methylanilino)propanoate
SMILESCCN(CCC(=O)ONN)c1cccc(C)c1
InChIInChI=1S/C12H19N3O2/c1-3-15(8-7-12(16)17-14-13)11-6-4-5-10(2)9-11/h4-6,9,14H,3,7-8,13H2,1-2H3
InChIKeyIZJCVIILLLVHGW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.13
Rot. Bonds6

About hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate

hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate (PubChem CID 66337672) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(N-ethyl-3-methylanilino)propanoate
PubChem CID66337672
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namehydrazinyl 3-(N-ethyl-3-methylanilino)propanoate
SMILESCCN(CCC(=O)ONN)c1cccc(C)c1
InChIInChI=1S/C12H19N3O2/c1-3-15(8-7-12(16)17-14-13)11-6-4-5-10(2)9-11/h4-6,9,14H,3,7-8,13H2,1-2H3
InChIKeyIZJCVIILLLVHGW-UHFFFAOYSA-N
XLogP1.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate
CID 66337492
hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate
CID 66338016
3-(N-ethyl-3-methylanilino)propanethioamide
CID 39160770
3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride
CID 42614728
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
3-(3-methyl-N-propylanilino)propanoic acid
CID 82317776
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate
CID 137371297
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109040578

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate?
The IUPAC name of hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate (CID 66337672) is hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate.
What is the SMILES notation for hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate?
The canonical SMILES for hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate is CCN(CCC(=O)ONN)c1cccc(C)c1.
What is the InChIKey of hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate?
The InChIKey is IZJCVIILLLVHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-15(8-7-12(16)17-14-13)11-6-4-5-10(2)9-11/h4-6,9,14H,3,7-8,13H2,1-2H3.
What are the key properties of hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate?
hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate is sourced from PubChem (CID 66337672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).