N,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide

C22H23N3O2 — CID 8593205

IUPACN,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN(C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23N3O2/c1-24(2)22(27)17-8-11-19(12-9-17)23-21(26)15-25(3)20-13-10-16-6-4-5-7-18(16)14-20/h4-14H,15H2,1-3H3,(H,23,26)
InChIKeyQRWJQNPDIKMMEI-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.62
Rot. Bonds5

About N,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide

N,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide (PubChem CID 8593205) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide
PubChem CID8593205
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN(C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23N3O2/c1-24(2)22(27)17-8-11-19(12-9-17)23-21(26)15-25(3)20-13-10-16-6-4-5-7-18(16)14-20/h4-14H,15H2,1-3H3,(H,23,26)
InChIKeyQRWJQNPDIKMMEI-UHFFFAOYSA-N
XLogP3.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide
CID 8593287
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593303
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593215
N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 25337456
N-(2-acetylphenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593322
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
N-(2,5-difluorophenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593308
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30257759
N-(2-ethyl-6-methylphenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593113
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide (CID 8593205) is N,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide is CN(C)C(=O)c1ccc(NC(=O)CN(C)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide?
The InChIKey is QRWJQNPDIKMMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-24(2)22(27)17-8-11-19(12-9-17)23-21(26)15-25(3)20-13-10-16-6-4-5-7-18(16)14-20/h4-14H,15H2,1-3H3,(H,23,26).
What are the key properties of N,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 8593205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).