N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide

C13H20N2O2 — CID 63892447

IUPACN-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide
SMILESCNCc1ccc(OCCCC(=O)NC)cc1
InChIInChI=1S/C13H20N2O2/c1-14-10-11-5-7-12(8-6-11)17-9-3-4-13(16)15-2/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyXRLUHVNHJWQAEY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.31
Rot. Bonds7

About N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide

N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide (PubChem CID 63892447) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide.

Molecular Properties

Compound NameN-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide
PubChem CID63892447
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide
SMILESCNCc1ccc(OCCCC(=O)NC)cc1
InChIInChI=1S/C13H20N2O2/c1-14-10-11-5-7-12(8-6-11)17-9-3-4-13(16)15-2/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyXRLUHVNHJWQAEY-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[4-(methylaminomethyl)phenoxy]propanamide
CID 62324162
N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282
4-[2-chloro-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63889885
methyl 4-[4-[[[2-(methylamino)acetyl]amino]methyl]phenoxy]butanoate
CID 119787949
4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide
CID 63892865
4-(4-amino-3-methylphenoxy)-N-methylbutanamide
CID 63892855
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide
CID 159463012
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
CID 119500483
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2677349
4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide
CID 142179795

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide?
The IUPAC name of N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide (CID 63892447) is N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide.
What is the SMILES notation for N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide?
The canonical SMILES for N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide is CNCc1ccc(OCCCC(=O)NC)cc1.
What is the InChIKey of N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide?
The InChIKey is XRLUHVNHJWQAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-10-11-5-7-12(8-6-11)17-9-3-4-13(16)15-2/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide?
N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide is sourced from PubChem (CID 63892447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).