2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide

C16H25NO2 — CID 48652357

IUPAC2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCCCCOC(C)C(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C16H25NO2/c1-5-6-11-19-14(3)16(18)17(4)12-15-10-8-7-9-13(15)2/h7-10,14H,5-6,11-12H2,1-4H3
InChIKeySZIKUYLKEBUVSC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds7

About 2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide

2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 48652357) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide
PubChem CID48652357
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCCCCOC(C)C(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C16H25NO2/c1-5-6-11-19-14(3)16(18)17(4)12-15-10-8-7-9-13(15)2/h7-10,14H,5-6,11-12H2,1-4H3
InChIKeySZIKUYLKEBUVSC-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
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 2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide (CID 48652357) is 2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide is CCCCOC(C)C(=O)N(C)Cc1ccccc1C.
What is the InChIKey of 2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is SZIKUYLKEBUVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-6-11-19-14(3)16(18)17(4)12-15-10-8-7-9-13(15)2/h7-10,14H,5-6,11-12H2,1-4H3.
What are the key properties of 2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 263.38 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 48652357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).