N-[3-(2-methylbutoxy)propyl]propanamide

C11H23NO2 — CID 59435467

IUPACN-[3-(2-methylbutoxy)propyl]propanamide
SMILESCCC(=O)NCCCOCC(C)CC
InChIInChI=1S/C11H23NO2/c1-4-10(3)9-14-8-6-7-12-11(13)5-2/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyCISHAGQELUKFTH-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.97
Rot. Bonds8

About N-[3-(2-methylbutoxy)propyl]propanamide

N-[3-(2-methylbutoxy)propyl]propanamide (PubChem CID 59435467) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[3-(2-methylbutoxy)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-methylbutoxy)propyl]propanamide
PubChem CID59435467
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[3-(2-methylbutoxy)propyl]propanamide
SMILESCCC(=O)NCCCOCC(C)CC
InChIInChI=1S/C11H23NO2/c1-4-10(3)9-14-8-6-7-12-11(13)5-2/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyCISHAGQELUKFTH-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-(2-methylbutoxy)propyl]propanamide?
The IUPAC name of N-[3-(2-methylbutoxy)propyl]propanamide (CID 59435467) is N-[3-(2-methylbutoxy)propyl]propanamide.
What is the SMILES notation for N-[3-(2-methylbutoxy)propyl]propanamide?
The canonical SMILES for N-[3-(2-methylbutoxy)propyl]propanamide is CCC(=O)NCCCOCC(C)CC.
What is the InChIKey of N-[3-(2-methylbutoxy)propyl]propanamide?
The InChIKey is CISHAGQELUKFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-10(3)9-14-8-6-7-12-11(13)5-2/h10H,4-9H2,1-3H3,(H,12,13).
What are the key properties of N-[3-(2-methylbutoxy)propyl]propanamide?
N-[3-(2-methylbutoxy)propyl]propanamide 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-(2-methylbutoxy)propyl]propanamide is sourced from PubChem (CID 59435467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).