2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide

C23H24N2O — CID 143997920

IUPAC2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide
SMILESO=C(Cc1cccc2ccccc12)NCC1CCCc2ccccc2N1
InChIInChI=1S/C23H24N2O/c26-23(15-19-11-5-9-17-7-1-3-13-21(17)19)24-16-20-12-6-10-18-8-2-4-14-22(18)25-20/h1-5,7-9,11,13-14,20,25H,6,10,12,15-16H2,(H,24,26)
InChIKeyVRJDRWVISYEZJO-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.32
Rot. Bonds4

About 2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide

2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide (PubChem CID 143997920) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide
PubChem CID143997920
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide
SMILESO=C(Cc1cccc2ccccc12)NCC1CCCc2ccccc2N1
InChIInChI=1S/C23H24N2O/c26-23(15-19-11-5-9-17-7-1-3-13-21(17)19)24-16-20-12-6-10-18-8-2-4-14-22(18)25-20/h1-5,7-9,11,13-14,20,25H,6,10,12,15-16H2,(H,24,26)
InChIKeyVRJDRWVISYEZJO-UHFFFAOYSA-N
XLogP4.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
CID 46208985
2-naphthalen-1-yl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619918
1-butyl-3-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)urea
CID 165476732
N-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide
CID 114303161
1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
CID 46208984
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
2-[(2-naphthalen-1-ylacetyl)amino]ethylazanium
CID 3827956
1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
CID 70886973
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide
CID 71782153
2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 46420164
(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119371080
N-(3-bromopropyl)-2-naphthalen-1-ylacetamide
CID 43246333

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide (CID 143997920) is 2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide is O=C(Cc1cccc2ccccc12)NCC1CCCc2ccccc2N1.
What is the InChIKey of 2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide?
The InChIKey is VRJDRWVISYEZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c26-23(15-19-11-5-9-17-7-1-3-13-21(17)19)24-16-20-12-6-10-18-8-2-4-14-22(18)25-20/h1-5,7-9,11,13-14,20,25H,6,10,12,15-16H2,(H,24,26).
What are the key properties of 2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide?
2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide has a molecular weight of 344.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide is sourced from PubChem (CID 143997920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).