N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide

C22H22N2O2 — CID 46424485

IUPACN,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C22H22N2O2/c1-24(2)22(26)19-11-5-7-16(13-19)15-23-21(25)14-18-10-6-9-17-8-3-4-12-20(17)18/h3-13H,14-15H2,1-2H3,(H,23,25)
InChIKeyVALMBFIDKWJPSZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.40
Rot. Bonds5

About N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide

N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide (PubChem CID 46424485) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
PubChem CID46424485
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C22H22N2O2/c1-24(2)22(26)19-11-5-7-16(13-19)15-23-21(25)14-18-10-6-9-17-8-3-4-12-20(17)18/h3-13H,14-15H2,1-2H3,(H,23,25)
InChIKeyVALMBFIDKWJPSZ-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 46424487
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide
CID 55816812
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
N-[2-[[3-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46424596
3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46424594
3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid
CID 80722615
N,N-dimethyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
CID 17231499
3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46401457

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide (CID 46424485) is N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide is CN(C)C(=O)c1cccc(CNC(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide?
The InChIKey is VALMBFIDKWJPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-24(2)22(26)19-11-5-7-16(13-19)15-23-21(25)14-18-10-6-9-17-8-3-4-12-20(17)18/h3-13H,14-15H2,1-2H3,(H,23,25).
What are the key properties of N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide?
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide has a molecular weight of 346.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide is sourced from PubChem (CID 46424485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).