2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide

C17H21N3O — CID 43724056

IUPAC2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide
SMILESCN(C)c1ccc(CNc2ccc(CC(N)=O)cc2)cc1
InChIInChI=1S/C17H21N3O/c1-20(2)16-9-5-14(6-10-16)12-19-15-7-3-13(4-8-15)11-17(18)21/h3-10,19H,11-12H2,1-2H3,(H2,18,21)
InChIKeyCRMIJJSVBUBGLG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.39
Rot. Bonds6

About 2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide

2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide (PubChem CID 43724056) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide
PubChem CID43724056
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide
SMILESCN(C)c1ccc(CNc2ccc(CC(N)=O)cc2)cc1
InChIInChI=1S/C17H21N3O/c1-20(2)16-9-5-14(6-10-16)12-19-15-7-3-13(4-8-15)11-17(18)21/h3-10,19H,11-12H2,1-2H3,(H2,18,21)
InChIKeyCRMIJJSVBUBGLG-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-ethylphenyl)methylamino]phenyl]acetamide
CID 43724073
4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide
CID 60985488
1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 927227
2-[4-[(3,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43786878
2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
CID 43724024
2-[4-[(3,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 60790039
ethane;2-[4-(methylamino)phenyl]acetamide
CID 142212219
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
CID 43786872
2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide
CID 43724074
2-[4-(naphthalen-2-ylmethylamino)phenyl]acetamide
CID 174611975
2-[4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43724140

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide (CID 43724056) is 2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide is CN(C)c1ccc(CNc2ccc(CC(N)=O)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide?
The InChIKey is CRMIJJSVBUBGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(2)16-9-5-14(6-10-16)12-19-15-7-3-13(4-8-15)11-17(18)21/h3-10,19H,11-12H2,1-2H3,(H2,18,21).
What are the key properties of 2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide?
2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide is sourced from PubChem (CID 43724056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).