N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide

C14H22N2O — CID 63225559

IUPACN-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)N(C)C(C)CCN)c1
InChIInChI=1S/C14H22N2O/c1-11-5-4-6-13(9-11)10-14(17)16(3)12(2)7-8-15/h4-6,9,12H,7-8,10,15H2,1-3H3
InChIKeyZFPIMOXUVQYABX-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.73
Rot. Bonds5

About N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide

N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide (PubChem CID 63225559) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide
PubChem CID63225559
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)N(C)C(C)CCN)c1
InChIInChI=1S/C14H22N2O/c1-11-5-4-6-13(9-11)10-14(17)16(3)12(2)7-8-15/h4-6,9,12H,7-8,10,15H2,1-3H3
InChIKeyZFPIMOXUVQYABX-UHFFFAOYSA-N
XLogP1.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide (CID 63225559) is N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)N(C)C(C)CCN)c1.
What is the InChIKey of N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide?
The InChIKey is ZFPIMOXUVQYABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-4-6-13(9-11)10-14(17)16(3)12(2)7-8-15/h4-6,9,12H,7-8,10,15H2,1-3H3.
What are the key properties of N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide?
N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide has a molecular weight of 234.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 63225559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).