N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide

C15H24N2O3 — CID 79548465

IUPACN-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide
SMILESCCOC(CNCc1ccccc1NC(C)=O)OCC
InChIInChI=1S/C15H24N2O3/c1-4-19-15(20-5-2)11-16-10-13-8-6-7-9-14(13)17-12(3)18/h6-9,15-16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyWNTSVZGTTNMLRM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.13
Rot. Bonds9

About N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide

N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide (PubChem CID 79548465) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide
PubChem CID79548465
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide
SMILESCCOC(CNCc1ccccc1NC(C)=O)OCC
InChIInChI=1S/C15H24N2O3/c1-4-19-15(20-5-2)11-16-10-13-8-6-7-9-14(13)17-12(3)18/h6-9,15-16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyWNTSVZGTTNMLRM-UHFFFAOYSA-N
XLogP2.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2,2-diethoxyethylamino)methyl]benzoate
CID 79547520
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
ethane;N-(2-propylphenyl)acetamide
CID 142804217
N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide
CID 82710042
2-[[(2-acetamidophenyl)methylamino]methyl]-2-ethylbutanoic acid
CID 122128895
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide
CID 66385636
2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid
CID 113477259
N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide
CID 66419443

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide (CID 79548465) is N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide is CCOC(CNCc1ccccc1NC(C)=O)OCC.
What is the InChIKey of N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide?
The InChIKey is WNTSVZGTTNMLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-19-15(20-5-2)11-16-10-13-8-6-7-9-14(13)17-12(3)18/h6-9,15-16H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide?
N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 79548465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).