N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide

C9H17N3O3 — CID 108895197

IUPACN-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)CCNC(=O)NCCNC(C)=O
InChIInChI=1S/C9H17N3O3/c1-7(13)3-4-11-9(15)12-6-5-10-8(2)14/h3-6H2,1-2H3,(H,10,14)(H2,11,12,15)
InChIKeyJLPXWXHIWXOWSR-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.60
Rot. Bonds6

About N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide

N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide (PubChem CID 108895197) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide
PubChem CID108895197
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)CCNC(=O)NCCNC(C)=O
InChIInChI=1S/C9H17N3O3/c1-7(13)3-4-11-9(15)12-6-5-10-8(2)14/h3-6H2,1-2H3,(H,10,14)(H2,11,12,15)
InChIKeyJLPXWXHIWXOWSR-UHFFFAOYSA-N
XLogP-0.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
4-(2-acetamidoethylcarbamoylamino)butanoic acid
CID 61201692
methyl 2-(3-oxobutylcarbamoylamino)acetate
CID 108895259
2-(3-acetamidopropanoylamino)ethylcarbamic acid
CID 19805641
3-acetamidopropanoyloxidanium
CID 154009858
N-(8-oxononyl)acetamide
CID 58114719
3-oxo-N-(3-oxobutyl)butanamide
CID 159841934
1-(3-butoxypropyl)-3-(3-oxobutyl)urea
CID 108894998
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 75480326
N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566
methyl 3-(3-acetamidopropanoylamino)propanoate
CID 60637138

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide (CID 108895197) is N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide is CC(=O)CCNC(=O)NCCNC(C)=O.
What is the InChIKey of N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide?
The InChIKey is JLPXWXHIWXOWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-7(13)3-4-11-9(15)12-6-5-10-8(2)14/h3-6H2,1-2H3,(H,10,14)(H2,11,12,15).
What are the key properties of N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide?
N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide has a molecular weight of 215.25 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 108895197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).