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5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide

C14H22N2O2 — CID 113440853

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide
SMILESCOCc1cccc(NC(=O)C(C)CCCN)c1
InChIInChI=1S/C14H22N2O2/c1-11(5-4-8-15)14(17)16-13-7-3-6-12(9-13)10-18-2/h3,6-7,9,11H,4-5,8,10,15H2,1-2H3,(H,16,17)
InChIKeyHWAVZOBKJQNXMK-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.15
Rot. Bonds7

About 5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide

5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide (PubChem CID 113440853) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide
PubChem CID113440853
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide
SMILESCOCc1cccc(NC(=O)C(C)CCCN)c1
InChIInChI=1S/C14H22N2O2/c1-11(5-4-8-15)14(17)16-13-7-3-6-12(9-13)10-18-2/h3,6-7,9,11H,4-5,8,10,15H2,1-2H3,(H,16,17)
InChIKeyHWAVZOBKJQNXMK-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide?
The IUPAC name of 5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide (CID 113440853) is 5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide?
The canonical SMILES for 5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide is COCc1cccc(NC(=O)C(C)CCCN)c1.
What is the InChIKey of 5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide?
The InChIKey is HWAVZOBKJQNXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(5-4-8-15)14(17)16-13-7-3-6-12(9-13)10-18-2/h3,6-7,9,11H,4-5,8,10,15H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide?
5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide has a molecular weight of 250.34 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide is sourced from PubChem (CID 113440853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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