N-butylacetamide;propanoic acid

C9H19NO3 — CID 87146552

IUPACN-butylacetamide;propanoic acid
SMILESCCC(=O)O.CCCCNC(C)=O
InChIInChI=1S/C6H13NO.C3H6O2/c1-3-4-5-7-6(2)8;1-2-3(4)5/h3-5H2,1-2H3,(H,7,8);2H2,1H3,(H,4,5)
InChIKeyDXRQJCFSYVGHJX-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.40
Rot. Bonds4

About N-butylacetamide;propanoic acid

N-butylacetamide;propanoic acid (PubChem CID 87146552) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-butylacetamide;propanoic acid.

Molecular Properties

Compound NameN-butylacetamide;propanoic acid
PubChem CID87146552
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-butylacetamide;propanoic acid
SMILESCCC(=O)O.CCCCNC(C)=O
InChIInChI=1S/C6H13NO.C3H6O2/c1-3-4-5-7-6(2)8;1-2-3(4)5/h3-5H2,1-2H3,(H,7,8);2H2,1H3,(H,4,5)
InChIKeyDXRQJCFSYVGHJX-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.40
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-butylacetamide;molecular hydrogen
CID 142252069
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452
N'-(3-acetamidopropyl)-N-butylpropanediamide
CID 59843703
N-(3-acetamidopropyl)acetamide
CID 5147555
5-acetamido-N-butylpentanamide
CID 123729472
N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide
CID 58435545
butylcarbamic acid
CID 3026651
11-acetamidoundecanoic acid;butan-1-amine
CID 171093396
butylcarbamic acid;zinc
CID 141049802
3-(3-acetamidopropyl)undecanoic acid
CID 21259482

Frequently Asked Questions

What is the IUPAC name of N-butylacetamide;propanoic acid?
The IUPAC name of N-butylacetamide;propanoic acid (CID 87146552) is N-butylacetamide;propanoic acid.
What is the SMILES notation for N-butylacetamide;propanoic acid?
The canonical SMILES for N-butylacetamide;propanoic acid is CCC(=O)O.CCCCNC(C)=O.
What is the InChIKey of N-butylacetamide;propanoic acid?
The InChIKey is DXRQJCFSYVGHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C3H6O2/c1-3-4-5-7-6(2)8;1-2-3(4)5/h3-5H2,1-2H3,(H,7,8);2H2,1H3,(H,4,5).
What are the key properties of N-butylacetamide;propanoic acid?
N-butylacetamide;propanoic acid has a molecular weight of 189.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylacetamide;propanoic acid is sourced from PubChem (CID 87146552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).