N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide

C17H21N3O — CID 43726479

IUPACN-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccccc2N(C)C)cc1
InChIInChI=1S/C17H21N3O/c1-13(21)19-15-10-8-14(9-11-15)12-18-16-6-4-5-7-17(16)20(2)3/h4-11,18H,12H2,1-3H3,(H,19,21)
InChIKeyWFWFZHCGDNTOLL-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.32
Rot. Bonds5

About N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide

N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide (PubChem CID 43726479) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide
PubChem CID43726479
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccccc2N(C)C)cc1
InChIInChI=1S/C17H21N3O/c1-13(21)19-15-10-8-14(9-11-15)12-18-16-6-4-5-7-17(16)20(2)3/h4-11,18H,12H2,1-3H3,(H,19,21)
InChIKeyWFWFZHCGDNTOLL-UHFFFAOYSA-N
XLogP3.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide
CID 110006672
N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide
CID 66387949
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
3-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726536
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
1-N-[(3-fluoro-4-methylphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 55226677
4-[(4-acetamidophenyl)methylamino]benzoic acid
CID 43139218
(E)-4-[2-(dimethylamino)anilino]but-2-enoic acid
CID 106760146
N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide
CID 63329529
3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid
CID 106759821
N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide
CID 79768829

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide (CID 43726479) is N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2ccccc2N(C)C)cc1.
What is the InChIKey of N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide?
The InChIKey is WFWFZHCGDNTOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(21)19-15-10-8-14(9-11-15)12-18-16-6-4-5-7-17(16)20(2)3/h4-11,18H,12H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide?
N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide has a molecular weight of 283.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide is sourced from PubChem (CID 43726479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).