N-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine)

C23H46N8O2 — CID 91037206

IUPACN-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine)
SMILESCC.CC.CCCCCNC(C)=O.CCCCNC(C)=O.c1ncncn1.c1ncncn1
InChIInChI=1S/C7H15NO.C6H13NO.2C3H3N3.2C2H6/c1-3-4-5-6-8-7(2)9;1-3-4-5-7-6(2)8;2*1-4-2-6-3-5-1;2*1-2/h3-6H2,1-2H3,(H,8,9);3-5H2,1-2H3,(H,7,8);2*1-3H;2*1-2H3
InChIKeySVRHMCSCYULSCY-UHFFFAOYSA-N
MW466.68 g/mol
LogP4.03
Rot. Bonds7

About N-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine)

N-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine) (PubChem CID 91037206) has the molecular formula C23H46N8O2 and a molecular weight of 466.68 g/mol. Its IUPAC name is N-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine).

Molecular Properties

Compound NameN-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine)
PubChem CID91037206
Molecular FormulaC23H46N8O2
Molecular Weight466.68 g/mol
Exact Mass466.37
IUPAC NameN-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine)
SMILESCC.CC.CCCCCNC(C)=O.CCCCNC(C)=O.c1ncncn1.c1ncncn1
InChIInChI=1S/C7H15NO.C6H13NO.2C3H3N3.2C2H6/c1-3-4-5-6-8-7(2)9;1-3-4-5-7-6(2)8;2*1-4-2-6-3-5-1;2*1-2/h3-6H2,1-2H3,(H,8,9);3-5H2,1-2H3,(H,7,8);2*1-3H;2*1-2H3
InChIKeySVRHMCSCYULSCY-UHFFFAOYSA-N
XLogP4.03
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.68
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine)?
The IUPAC name of N-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine) (CID 91037206) is N-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine).
What is the SMILES notation for N-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine)?
The canonical SMILES for N-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine) is CC.CC.CCCCCNC(C)=O.CCCCNC(C)=O.c1ncncn1.c1ncncn1.
What is the InChIKey of N-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine)?
The InChIKey is SVRHMCSCYULSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C6H13NO.2C3H3N3.2C2H6/c1-3-4-5-6-8-7(2)9;1-3-4-5-7-6(2)8;2*1-4-2-6-3-5-1;2*1-2/h3-6H2,1-2H3,(H,8,9);3-5H2,1-2H3,(H,7,8);2*1-3H;2*1-2H3.
What are the key properties of N-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine)?
N-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine) has a molecular weight of 466.68 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine) is sourced from PubChem (CID 91037206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).