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

C12H25N3O2 — CID 10332037

IUPACN-[4-(4-acetamidobutylamino)butyl]acetamide
SMILESCC(=O)NCCCCNCCCCNC(C)=O
InChIInChI=1S/C12H25N3O2/c1-11(16)14-9-5-3-7-13-8-4-6-10-15-12(2)17/h13H,3-10H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIOMSMZGPNBVYHB-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.41
Rot. Bonds10

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

N-[4-(4-acetamidobutylamino)butyl]acetamide (PubChem CID 10332037) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[4-(4-acetamidobutylamino)butyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-acetamidobutylamino)butyl]acetamide
PubChem CID10332037
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[4-(4-acetamidobutylamino)butyl]acetamide
SMILESCC(=O)NCCCCNCCCCNC(C)=O
InChIInChI=1S/C12H25N3O2/c1-11(16)14-9-5-3-7-13-8-4-6-10-15-12(2)17/h13H,3-10H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIOMSMZGPNBVYHB-UHFFFAOYSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.41
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-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide
CID 59687519
N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide
CID 58435545
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride
CID 74764694
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide
CID 59687521
N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide
CID 159062074
N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide
CID 159263128
N-[3-(3-methylbutylamino)propyl]acetamide
CID 82364861
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidobutylamino)butyl]acetamide?
The IUPAC name of N-[4-(4-acetamidobutylamino)butyl]acetamide (CID 10332037) is N-[4-(4-acetamidobutylamino)butyl]acetamide.
What is the SMILES notation for N-[4-(4-acetamidobutylamino)butyl]acetamide?
The canonical SMILES for N-[4-(4-acetamidobutylamino)butyl]acetamide is CC(=O)NCCCCNCCCCNC(C)=O.
What is the InChIKey of N-[4-(4-acetamidobutylamino)butyl]acetamide?
The InChIKey is IOMSMZGPNBVYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-11(16)14-9-5-3-7-13-8-4-6-10-15-12(2)17/h13H,3-10H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[4-(4-acetamidobutylamino)butyl]acetamide?
N-[4-(4-acetamidobutylamino)butyl]acetamide has a molecular weight of 243.35 g/mol, XLogP of 0.41, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidobutylamino)butyl]acetamide is sourced from PubChem (CID 10332037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).