N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane

C13H22N2O — CID 142252989

IUPACN-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
SMILESCC.CC(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C11H16N2O.C2H6/c1-9(14)12-11-7-5-4-6-10(11)8-13(2)3;1-2/h4-7H,8H2,1-3H3,(H,12,14);1-2H3
InChIKeyWAKOBMDPOKTRMR-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.73
Rot. Bonds3

About N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane

N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane (PubChem CID 142252989) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
PubChem CID142252989
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
SMILESCC.CC(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C11H16N2O.C2H6/c1-9(14)12-11-7-5-4-6-10(11)8-13(2)3;1-2/h4-7H,8H2,1-3H3,(H,12,14);1-2H3
InChIKeyWAKOBMDPOKTRMR-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 43695681
1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013
N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
CID 31969965
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 110470101
2-N,6-N-bis[2-[(dimethylamino)methyl]phenyl]pyridine-2,6-dicarboxamide
CID 38435626
2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide
CID 81082978
N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide
CID 79204978
N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide
CID 60763631
ethane;N-(2-propylphenyl)acetamide
CID 142804217
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane (CID 142252989) is N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane is CC.CC(=O)Nc1ccccc1CN(C)C.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane?
The InChIKey is WAKOBMDPOKTRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C2H6/c1-9(14)12-11-7-5-4-6-10(11)8-13(2)3;1-2/h4-7H,8H2,1-3H3,(H,12,14);1-2H3.
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane?
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane has a molecular weight of 222.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane is sourced from PubChem (CID 142252989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).