2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide

C21H21NO — CID 43011349

IUPAC2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C21H21NO/c1-14-8-11-20(15(2)12-14)21(23)22-16(3)18-10-9-17-6-4-5-7-19(17)13-18/h4-13,16H,1-3H3,(H,22,23)
InChIKeyKTHCZLSDJSAOPJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.95
Rot. Bonds3

About 2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide

2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide (PubChem CID 43011349) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide
PubChem CID43011349
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C21H21NO/c1-14-8-11-20(15(2)12-14)21(23)22-16(3)18-10-9-17-6-4-5-7-19(17)13-18/h4-13,16H,1-3H3,(H,22,23)
InChIKeyKTHCZLSDJSAOPJ-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
2-methyl-N-[3-methyl-1-(1-naphthalen-2-ylethylamino)-1-oxobutan-2-yl]benzamide
CID 43011329
2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide
CID 34763220
N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide
CID 60919316
2,4-dimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 26242918
2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide
CID 46178562
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide
CID 28633409
N-[(1R)-1-naphthalen-2-ylethyl]pyridine-2-carboxamide
CID 26084577

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide (CID 43011349) is 2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide is Cc1ccc(C(=O)NC(C)c2ccc3ccccc3c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide?
The InChIKey is KTHCZLSDJSAOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-14-8-11-20(15(2)12-14)21(23)22-16(3)18-10-9-17-6-4-5-7-19(17)13-18/h4-13,16H,1-3H3,(H,22,23).
What are the key properties of 2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide?
2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide has a molecular weight of 303.41 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide is sourced from PubChem (CID 43011349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).