2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide

C15H25N3O2 — CID 108995055

IUPAC2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CNCCCN(C)C
InChIInChI=1S/C15H25N3O2/c1-18(2)10-6-9-16-12-15(19)17-11-13-7-4-5-8-14(13)20-3/h4-5,7-8,16H,6,9-12H2,1-3H3,(H,17,19)
InChIKeyYPYLPZSEPXKXPJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.85
Rot. Bonds9

About 2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide

2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 108995055) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID108995055
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CNCCCN(C)C
InChIInChI=1S/C15H25N3O2/c1-18(2)10-6-9-16-12-15(19)17-11-13-7-4-5-8-14(13)20-3/h4-5,7-8,16H,6,9-12H2,1-3H3,(H,17,19)
InChIKeyYPYLPZSEPXKXPJ-UHFFFAOYSA-N
XLogP0.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 108996645
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758
3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021987
2-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78907392
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113138110
2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995200
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108993813
3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83116563
2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108995048
2-[(2-methoxyphenyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60688505

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide (CID 108995055) is 2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CNCCCN(C)C.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is YPYLPZSEPXKXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-18(2)10-6-9-16-12-15(19)17-11-13-7-4-5-8-14(13)20-3/h4-5,7-8,16H,6,9-12H2,1-3H3,(H,17,19).
What are the key properties of 2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 279.38 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 108995055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).