3-methoxy-N-(4-methylpentyl)propanamide

C10H21NO2 — CID 88967157

IUPAC3-methoxy-N-(4-methylpentyl)propanamide
SMILESCOCCC(=O)NCCCC(C)C
InChIInChI=1S/C10H21NO2/c1-9(2)5-4-7-11-10(12)6-8-13-3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyDPRKLCIJEKRUPU-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.58
Rot. Bonds7

About 3-methoxy-N-(4-methylpentyl)propanamide

3-methoxy-N-(4-methylpentyl)propanamide (PubChem CID 88967157) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-methoxy-N-(4-methylpentyl)propanamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methylpentyl)propanamide
PubChem CID88967157
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-methoxy-N-(4-methylpentyl)propanamide
SMILESCOCCC(=O)NCCCC(C)C
InChIInChI=1S/C10H21NO2/c1-9(2)5-4-7-11-10(12)6-8-13-3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyDPRKLCIJEKRUPU-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.58
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 3-methoxy-N-(4-methylpentyl)propanamide?
The IUPAC name of 3-methoxy-N-(4-methylpentyl)propanamide (CID 88967157) is 3-methoxy-N-(4-methylpentyl)propanamide.
What is the SMILES notation for 3-methoxy-N-(4-methylpentyl)propanamide?
The canonical SMILES for 3-methoxy-N-(4-methylpentyl)propanamide is COCCC(=O)NCCCC(C)C.
What is the InChIKey of 3-methoxy-N-(4-methylpentyl)propanamide?
The InChIKey is DPRKLCIJEKRUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)5-4-7-11-10(12)6-8-13-3/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of 3-methoxy-N-(4-methylpentyl)propanamide?
3-methoxy-N-(4-methylpentyl)propanamide has a molecular weight of 187.28 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methylpentyl)propanamide is sourced from PubChem (CID 88967157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).