butanamide;hexan-2-one;propane

C13H29NO2 — CID 145305673

IUPACbutanamide;hexan-2-one;propane
SMILESCCC.CCCC(N)=O.CCCCC(C)=O
InChIInChI=1S/C6H12O.C4H9NO.C3H8/c1-3-4-5-6(2)7;1-2-3-4(5)6;1-3-2/h3-5H2,1-2H3;2-3H2,1H3,(H2,5,6);3H2,1-2H3
InChIKeyTUPXHCVBMBWVMI-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.45
Rot. Bonds5

About butanamide;hexan-2-one;propane

butanamide;hexan-2-one;propane (PubChem CID 145305673) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is butanamide;hexan-2-one;propane.

Molecular Properties

Compound Namebutanamide;hexan-2-one;propane
PubChem CID145305673
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Namebutanamide;hexan-2-one;propane
SMILESCCC.CCCC(N)=O.CCCCC(C)=O
InChIInChI=1S/C6H12O.C4H9NO.C3H8/c1-3-4-5-6(2)7;1-2-3-4(5)6;1-3-2/h3-5H2,1-2H3;2-3H2,1H3,(H2,5,6);3H2,1-2H3
InChIKeyTUPXHCVBMBWVMI-UHFFFAOYSA-N
XLogP3.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butanamide;hexan-2-one;propane?
The IUPAC name of butanamide;hexan-2-one;propane (CID 145305673) is butanamide;hexan-2-one;propane.
What is the SMILES notation for butanamide;hexan-2-one;propane?
The canonical SMILES for butanamide;hexan-2-one;propane is CCC.CCCC(N)=O.CCCCC(C)=O.
What is the InChIKey of butanamide;hexan-2-one;propane?
The InChIKey is TUPXHCVBMBWVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C4H9NO.C3H8/c1-3-4-5-6(2)7;1-2-3-4(5)6;1-3-2/h3-5H2,1-2H3;2-3H2,1H3,(H2,5,6);3H2,1-2H3.
What are the key properties of butanamide;hexan-2-one;propane?
butanamide;hexan-2-one;propane has a molecular weight of 231.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanamide;hexan-2-one;propane is sourced from PubChem (CID 145305673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).