2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide

C20H19NO — CID 134871055

IUPAC2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide
SMILESCc1cccc2cccc(C(C)c3ccccc3C(N)=O)c12
InChIInChI=1S/C20H19NO/c1-13-7-5-8-15-9-6-12-17(19(13)15)14(2)16-10-3-4-11-18(16)20(21)22/h3-12,14H,1-2H3,(H2,21,22)
InChIKeyABNZVIUJFBDORP-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.40
Rot. Bonds3

About 2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide

2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide (PubChem CID 134871055) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide
PubChem CID134871055
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide
SMILESCc1cccc2cccc(C(C)c3ccccc3C(N)=O)c12
InChIInChI=1S/C20H19NO/c1-13-7-5-8-15-9-6-12-17(19(13)15)14(2)16-10-3-4-11-18(16)20(21)22/h3-12,14H,1-2H3,(H2,21,22)
InChIKeyABNZVIUJFBDORP-UHFFFAOYSA-N
XLogP4.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 140522394
2-[(2-methylphenyl)-phenylmethyl]benzamide
CID 68831264
1-(8-methylnaphthalen-1-yl)ethanamine
CID 105441726
1-(8-methylnaphthalen-1-yl)ethanol
CID 15563489
2-methylbenzamide;molecular hydrogen
CID 177161283
2-[(1S)-1-quinolin-6-ylethyl]benzamide
CID 176877599
2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
CID 140800245
2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 140559982
2,3-dimethylbenzamide;ethane
CID 143389789
carbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate
CID 138535838
3-methyl-2-nitrosobenzamide
CID 88560942
2-(1-pyridin-1-ium-1-ylethyl)benzamide
CID 66877295

Frequently Asked Questions

What is the IUPAC name of 2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide?
The IUPAC name of 2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide (CID 134871055) is 2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide?
The canonical SMILES for 2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide is Cc1cccc2cccc(C(C)c3ccccc3C(N)=O)c12.
What is the InChIKey of 2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide?
The InChIKey is ABNZVIUJFBDORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-13-7-5-8-15-9-6-12-17(19(13)15)14(2)16-10-3-4-11-18(16)20(21)22/h3-12,14H,1-2H3,(H2,21,22).
What are the key properties of 2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide?
2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide has a molecular weight of 289.38 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(8-methylnaphthalen-1-yl)ethyl]benzamide is sourced from PubChem (CID 134871055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).