N-(3-butoxypropyl)-2-methylpropanamide

C11H23NO2 — CID 58290039

IUPACN-(3-butoxypropyl)-2-methylpropanamide
SMILESCCCCOCCCNC(=O)C(C)C
InChIInChI=1S/C11H23NO2/c1-4-5-8-14-9-6-7-12-11(13)10(2)3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyYHJFXQCIAATNQW-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.97
Rot. Bonds8

About N-(3-butoxypropyl)-2-methylpropanamide

N-(3-butoxypropyl)-2-methylpropanamide (PubChem CID 58290039) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-methylpropanamide
PubChem CID58290039
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(3-butoxypropyl)-2-methylpropanamide
SMILESCCCCOCCCNC(=O)C(C)C
InChIInChI=1S/C11H23NO2/c1-4-5-8-14-9-6-7-12-11(13)10(2)3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyYHJFXQCIAATNQW-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-butoxypropyl)-2-methylpropanamide?
The IUPAC name of N-(3-butoxypropyl)-2-methylpropanamide (CID 58290039) is N-(3-butoxypropyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-methylpropanamide?
The canonical SMILES for N-(3-butoxypropyl)-2-methylpropanamide is CCCCOCCCNC(=O)C(C)C.
What is the InChIKey of N-(3-butoxypropyl)-2-methylpropanamide?
The InChIKey is YHJFXQCIAATNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-8-14-9-6-7-12-11(13)10(2)3/h10H,4-9H2,1-3H3,(H,12,13).
What are the key properties of N-(3-butoxypropyl)-2-methylpropanamide?
N-(3-butoxypropyl)-2-methylpropanamide has a molecular weight of 201.31 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-methylpropanamide is sourced from PubChem (CID 58290039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).