3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide

C14H22N2O2 — CID 54896362

IUPAC3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide
SMILESCOCc1cccc(CNCCC(=O)N(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-16(2)14(17)7-8-15-10-12-5-4-6-13(9-12)11-18-3/h4-6,9,15H,7-8,10-11H2,1-3H3
InChIKeyPLDKAIZSRWAQTB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.40
Rot. Bonds7

About 3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide

3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide (PubChem CID 54896362) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide
PubChem CID54896362
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide
SMILESCOCc1cccc(CNCCC(=O)N(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-16(2)14(17)7-8-15-10-12-5-4-6-13(9-12)11-18-3/h4-6,9,15H,7-8,10-11H2,1-3H3
InChIKeyPLDKAIZSRWAQTB-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 60970958
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87014098
3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63057423
3-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethylpropanamide
CID 66349314
3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 62989370
N-[[3-(methoxymethyl)phenyl]methyl]-2-methylsulfinylethanamine
CID 115654099
N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
CID 54896843
3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 65341239
3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide
CID 60926375
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 9481032

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide (CID 54896362) is 3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide is COCc1cccc(CNCCC(=O)N(C)C)c1.
What is the InChIKey of 3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide?
The InChIKey is PLDKAIZSRWAQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(2)14(17)7-8-15-10-12-5-4-6-13(9-12)11-18-3/h4-6,9,15H,7-8,10-11H2,1-3H3.
What are the key properties of 3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide?
3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54896362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).