N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide

C33H38N4O2 — CID 11642165

IUPACN-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide
SMILESCc1noc(-c2ccc3c(c2)CCN(CCC2CCC(NC(=O)Cc4ccc5ccccc5c4)CC2)CC3)n1
InChIInChI=1S/C33H38N4O2/c1-23-34-33(39-36-23)30-11-10-27-15-18-37(19-16-29(27)22-30)17-14-24-7-12-31(13-8-24)35-32(38)21-25-6-9-26-4-2-3-5-28(26)20-25/h2-6,9-11,20,22,24,31H,7-8,12-19,21H2,1H3,(H,35,38)
InChIKeySBGMYNIVMCDLLH-UHFFFAOYSA-N
MW522.69 g/mol
LogP5.91
Rot. Bonds7

About N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide

N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide (PubChem CID 11642165) has the molecular formula C33H38N4O2 and a molecular weight of 522.69 g/mol. Its IUPAC name is N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide
PubChem CID11642165
Molecular FormulaC33H38N4O2
Molecular Weight522.69 g/mol
Exact Mass522.30
IUPAC NameN-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide
SMILESCc1noc(-c2ccc3c(c2)CCN(CCC2CCC(NC(=O)Cc4ccc5ccccc5c4)CC2)CC3)n1
InChIInChI=1S/C33H38N4O2/c1-23-34-33(39-36-23)30-11-10-27-15-18-37(19-16-29(27)22-30)17-14-24-7-12-31(13-8-24)35-32(38)21-25-6-9-26-4-2-3-5-28(26)20-25/h2-6,9-11,20,22,24,31H,7-8,12-19,21H2,1H3,(H,35,38)
InChIKeySBGMYNIVMCDLLH-UHFFFAOYSA-N
XLogP5.91
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide (CID 11642165) is N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide is Cc1noc(-c2ccc3c(c2)CCN(CCC2CCC(NC(=O)Cc4ccc5ccccc5c4)CC2)CC3)n1.
What is the InChIKey of N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide?
The InChIKey is SBGMYNIVMCDLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O2/c1-23-34-33(39-36-23)30-11-10-27-15-18-37(19-16-29(27)22-30)17-14-24-7-12-31(13-8-24)35-32(38)21-25-6-9-26-4-2-3-5-28(26)20-25/h2-6,9-11,20,22,24,31H,7-8,12-19,21H2,1H3,(H,35,38).
What are the key properties of N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide?
N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide has a molecular weight of 522.69 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 11642165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).