butyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate

C9H17N3O4 — CID 87088052

IUPACbutyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate
SMILESCCCCOC(=O)NCC(=O)NNC(C)=O
InChIInChI=1S/C9H17N3O4/c1-3-4-5-16-9(15)10-6-8(14)12-11-7(2)13/h3-6H2,1-2H3,(H,10,15)(H,11,13)(H,12,14)
InChIKeyQENIQDAZAFILQG-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.32
Rot. Bonds5

About butyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate

butyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate (PubChem CID 87088052) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is butyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate
PubChem CID87088052
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Namebutyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate
SMILESCCCCOC(=O)NCC(=O)NNC(C)=O
InChIInChI=1S/C9H17N3O4/c1-3-4-5-16-9(15)10-6-8(14)12-11-7(2)13/h3-6H2,1-2H3,(H,10,15)(H,11,13)(H,12,14)
InChIKeyQENIQDAZAFILQG-UHFFFAOYSA-N
XLogP-0.32
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
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'}

Analyze butyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate 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

pentyl 2-(butoxycarbonylamino)acetate
CID 6422768
butyl 2-[[2-(butoxycarbonylamino)acetyl]amino]-4-methylpentanoate
CID 91698972
butyl N-[(Z)-2,3-dibromoprop-2-enyl]carbamate
CID 54600406
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
tetradecyl N-(hydroxymethyl)carbamate
CID 71348472
butyl N-[2-(pentanoylamino)ethyl]carbamate
CID 108573829
butyl N-(3-hydroxypropyl)carbamate
CID 57302125
butyl N-[(4-hydroxyphenyl)methyl]carbamate
CID 67634230
4-methylpentyl 2-(butoxycarbonylamino)acetate
CID 6422769
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
2-(2-butoxycarbonylhydrazinyl)acetic acid
CID 154371551
undecyl N-octylcarbamate
CID 168918698

Frequently Asked Questions

What is the IUPAC name of butyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate?
The IUPAC name of butyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate (CID 87088052) is butyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate.
What is the SMILES notation for butyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate?
The canonical SMILES for butyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate is CCCCOC(=O)NCC(=O)NNC(C)=O.
What is the InChIKey of butyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate?
The InChIKey is QENIQDAZAFILQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-3-4-5-16-9(15)10-6-8(14)12-11-7(2)13/h3-6H2,1-2H3,(H,10,15)(H,11,13)(H,12,14).
What are the key properties of butyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate?
butyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate has a molecular weight of 231.25 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate is sourced from PubChem (CID 87088052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).