N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen

C11H26N2O2 — CID 142492676

IUPACN-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
SMILESCCCC(=O)NCCCNC(=O)CCC.[H][H].[H][H]
InChIInChI=1S/C11H22N2O2.2H2/c1-3-6-10(14)12-8-5-9-13-11(15)7-4-2;;/h3-9H2,1-2H3,(H,12,14)(H,13,15);2*1H
InChIKeyOJXUGQNKOFNRPF-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.70
Rot. Bonds8

About N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen

N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen (PubChem CID 142492676) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
PubChem CID142492676
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC NameN-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
SMILESCCCC(=O)NCCCNC(=O)CCC.[H][H].[H][H]
InChIInChI=1S/C11H22N2O2.2H2/c1-3-6-10(14)12-8-5-9-13-11(15)7-4-2;;/h3-9H2,1-2H3,(H,12,14)(H,13,15);2*1H
InChIKeyOJXUGQNKOFNRPF-UHFFFAOYSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-[3-(methylamino)propyl]butanamide
CID 43600791
16-(butanoylamino)hexadecanoic acid
CID 118711043
N-(4-acetamidobutyl)butanamide
CID 110417477
N-(3-iodopropyl)butanamide
CID 114504418
N-[5-[2-(ethylamino)ethylamino]pentyl]butanamide;molecular hydrogen
CID 156795142
N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
N-[3-(ethylamino)propyl]pentanamide;molecular hydrogen
CID 171627803
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-(6-iodohexyl)butanamide
CID 107848130
ethane;molecular hydrogen;N-pentyltridecanamide
CID 142045594
ethane;N-(6-oxoheptyl)butanamide
CID 143878068

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen?
The IUPAC name of N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen (CID 142492676) is N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen.
What is the SMILES notation for N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen?
The canonical SMILES for N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen is CCCC(=O)NCCCNC(=O)CCC.[H][H].[H][H].
What is the InChIKey of N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen?
The InChIKey is OJXUGQNKOFNRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.2H2/c1-3-6-10(14)12-8-5-9-13-11(15)7-4-2;;/h3-9H2,1-2H3,(H,12,14)(H,13,15);2*1H.
What are the key properties of N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen?
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen has a molecular weight of 218.34 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen is sourced from PubChem (CID 142492676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).