N-butoxypropanamide

C7H15NO2 — CID 86250289

IUPACN-butoxypropanamide
SMILESCCCCONC(=O)CC
InChIInChI=1S/C7H15NO2/c1-3-5-6-10-8-7(9)4-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyYTOSBHPLGATADD-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.24
Rot. Bonds5

About N-butoxypropanamide

N-butoxypropanamide (PubChem CID 86250289) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-butoxypropanamide.

Molecular Properties

Compound NameN-butoxypropanamide
PubChem CID86250289
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-butoxypropanamide
SMILESCCCCONC(=O)CC
InChIInChI=1S/C7H15NO2/c1-3-5-6-10-8-7(9)4-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyYTOSBHPLGATADD-UHFFFAOYSA-N
XLogP1.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butoxy-2-methylidenebutanamide
CID 151866708
N-propoxyoctanamide
CID 174987362
(Z)-N-butoxy-2-methylbut-2-enamide
CID 89103955
N-nonan-5-yloxypropanamide
CID 140841027
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
N-pentoxyprop-2-enamide
CID 174822996
bis(butoxycarbonyl) carbonate
CID 87650057
N-butoxy-2-(methylsulfonylmethyl)prop-2-enamide
CID 87928035
4-(butoxycarbamoyloxy)-2-methylidenebutanoic acid
CID 122598325
butyl hydrogen carbonate
CID 157271096
1-butoxy-3-phenylurea
CID 4061845
N-(3-ethyloctan-3-yloxy)propanamide
CID 154629166

Frequently Asked Questions

What is the IUPAC name of N-butoxypropanamide?
The IUPAC name of N-butoxypropanamide (CID 86250289) is N-butoxypropanamide.
What is the SMILES notation for N-butoxypropanamide?
The canonical SMILES for N-butoxypropanamide is CCCCONC(=O)CC.
What is the InChIKey of N-butoxypropanamide?
The InChIKey is YTOSBHPLGATADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-5-6-10-8-7(9)4-2/h3-6H2,1-2H3,(H,8,9).
What are the key properties of N-butoxypropanamide?
N-butoxypropanamide has a molecular weight of 145.20 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxypropanamide is sourced from PubChem (CID 86250289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).