N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide

C13H26N4O3 — CID 144980902

IUPACN-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
SMILESCC(=O)NCCCCNC(=O)NCCCCNC(C)=O
InChIInChI=1S/C13H26N4O3/c1-11(18)14-7-3-5-9-16-13(20)17-10-6-4-8-15-12(2)19/h3-10H2,1-2H3,(H,14,18)(H,15,19)(H2,16,17,20)
InChIKeyUGNKOQXYEHHEFA-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.12
Rot. Bonds10

About N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide

N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide (PubChem CID 144980902) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
PubChem CID144980902
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC NameN-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
SMILESCC(=O)NCCCCNC(=O)NCCCCNC(C)=O
InChIInChI=1S/C13H26N4O3/c1-11(18)14-7-3-5-9-16-13(20)17-10-6-4-8-15-12(2)19/h3-10H2,1-2H3,(H,14,18)(H,15,19)(H2,16,17,20)
InChIKeyUGNKOQXYEHHEFA-UHFFFAOYSA-N
XLogP0.12
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidopropyl)acetamide
CID 5147555
N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide
CID 110415978
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
4-(2-acetamidoethylcarbamoylamino)butanoic acid
CID 61201692
N-hexylacetamide
CID 24129
N-nonadecylacetamide
CID 54574805
N-pentadecylacetamide
CID 12009452
N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide
CID 47239682
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
methane;propane;N-[4-(2-propoxyethylcarbamoylamino)butyl]acetamide;1-propoxypropane
CID 142400891
N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide
CID 108895197
N-(8-oxononyl)acetamide
CID 58114719

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide?
The IUPAC name of N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide (CID 144980902) is N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide.
What is the SMILES notation for N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide?
The canonical SMILES for N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide is CC(=O)NCCCCNC(=O)NCCCCNC(C)=O.
What is the InChIKey of N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide?
The InChIKey is UGNKOQXYEHHEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-11(18)14-7-3-5-9-16-13(20)17-10-6-4-8-15-12(2)19/h3-10H2,1-2H3,(H,14,18)(H,15,19)(H2,16,17,20).
What are the key properties of N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide?
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 0.12, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide is sourced from PubChem (CID 144980902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).