N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide

C13H20N4O2 — CID 113411061

IUPACN-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide
SMILESCCNC(=O)CCNC(=O)c1ccc(NN)c(C)c1
InChIInChI=1S/C13H20N4O2/c1-3-15-12(18)6-7-16-13(19)10-4-5-11(17-14)9(2)8-10/h4-5,8,17H,3,6-7,14H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyFNJCUKZCJQBOHC-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.54
Rot. Bonds6

About N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide

N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide (PubChem CID 113411061) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide
PubChem CID113411061
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide
SMILESCCNC(=O)CCNC(=O)c1ccc(NN)c(C)c1
InChIInChI=1S/C13H20N4O2/c1-3-15-12(18)6-7-16-13(19)10-4-5-11(17-14)9(2)8-10/h4-5,8,17H,3,6-7,14H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyFNJCUKZCJQBOHC-UHFFFAOYSA-N
XLogP0.54
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 63214027
4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 63211458
4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
CID 54862801
4-hydrazinyl-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbenzamide
CID 63211606
4-hydrazinyl-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63212242
N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
CID 63210532
4-hydrazinyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
CID 63212418
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 114139757
N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
CID 108574738
N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211678
4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106409338
N-ethyl-3-methyl-4-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119714183

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide?
The IUPAC name of N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide (CID 113411061) is N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide.
What is the SMILES notation for N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide?
The canonical SMILES for N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide is CCNC(=O)CCNC(=O)c1ccc(NN)c(C)c1.
What is the InChIKey of N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide?
The InChIKey is FNJCUKZCJQBOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-15-12(18)6-7-16-13(19)10-4-5-11(17-14)9(2)8-10/h4-5,8,17H,3,6-7,14H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide?
N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide has a molecular weight of 264.33 g/mol, XLogP of 0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide is sourced from PubChem (CID 113411061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).