N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide

C13H20N2O2 — CID 60763631

IUPACN-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C13H20N2O2/c1-4-17-10-13(16)14-12-8-6-5-7-11(12)9-15(2)3/h5-8H,4,9-10H2,1-3H3,(H,14,16)
InChIKeyCQVMRSZNTTWCSP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.72
Rot. Bonds6

About N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide

N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide (PubChem CID 60763631) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide
PubChem CID60763631
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C13H20N2O2/c1-4-17-10-13(16)14-12-8-6-5-7-11(12)9-15(2)3/h5-8H,4,9-10H2,1-3H3,(H,14,16)
InChIKeyCQVMRSZNTTWCSP-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
2-amino-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 43695681
N-[2-[(2-bromoethylamino)methyl]phenyl]-2-ethoxyacetamide
CID 23621114
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
N-[2-[(dimethylamino)methyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 38435524
2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 110470101
N-[2-(diethylaminomethyl)phenyl]-2-methoxyacetamide
CID 60794575
N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide
CID 79204978
N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide
CID 54924337
4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide
CID 103154440
N-[2-[(dimethylamino)methyl]phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281335
5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide
CID 82848561

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide (CID 60763631) is N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide is CCOCC(=O)Nc1ccccc1CN(C)C.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide?
The InChIKey is CQVMRSZNTTWCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-17-10-13(16)14-12-8-6-5-7-11(12)9-15(2)3/h5-8H,4,9-10H2,1-3H3,(H,14,16).
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide?
N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide is sourced from PubChem (CID 60763631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).