N,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide

C23H25NO — CID 123837430

IUPACN,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc3cc(C)ccc3c2)ccc1C
InChIInChI=1S/C23H25NO/c1-5-24(6-2)23(25)22-15-21(10-8-17(22)4)20-12-11-18-13-16(3)7-9-19(18)14-20/h7-15H,5-6H2,1-4H3
InChIKeyIIQKXSHXHORFBD-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.61
Rot. Bonds4

About N,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide

N,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide (PubChem CID 123837430) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide
PubChem CID123837430
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC NameN,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc3cc(C)ccc3c2)ccc1C
InChIInChI=1S/C23H25NO/c1-5-24(6-2)23(25)22-15-21(10-8-17(22)4)20-12-11-18-13-16(3)7-9-19(18)14-20/h7-15H,5-6H2,1-4H3
InChIKeyIIQKXSHXHORFBD-UHFFFAOYSA-N
XLogP5.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
N,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide
CID 71079379
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 80661347
N-[(4-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458688
[2-(diethylcarbamoyl)-4-methylphenyl]boronic acid
CID 15772804
N,N-diethyl-1-naphthalen-2-ylnaphthalene-2-carboxamide
CID 59365458
N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458950
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide
CID 63754246
methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate
CID 54979100
2-amino-N-ethyl-5-methyl-N-propylbenzamide
CID 62511065

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide?
The IUPAC name of N,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide (CID 123837430) is N,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide.
What is the SMILES notation for N,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide?
The canonical SMILES for N,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide is CCN(CC)C(=O)c1cc(-c2ccc3cc(C)ccc3c2)ccc1C.
What is the InChIKey of N,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide?
The InChIKey is IIQKXSHXHORFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-5-24(6-2)23(25)22-15-21(10-8-17(22)4)20-12-11-18-13-16(3)7-9-19(18)14-20/h7-15H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide?
N,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide has a molecular weight of 331.46 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide is sourced from PubChem (CID 123837430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).