N-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide

C28H31N5O — CID 19763705

IUPACN-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide
SMILESCN(CCc1ccccc1)C(=O)Cc1ccc(CC(CCc2nn[nH]n2)c2ccccc2)cc1
InChIInChI=1S/C28H31N5O/c1-33(19-18-22-8-4-2-5-9-22)28(34)21-24-14-12-23(13-15-24)20-26(25-10-6-3-7-11-25)16-17-27-29-31-32-30-27/h2-15,26H,16-21H2,1H3,(H,29,30,31,32)
InChIKeyCUGRVOAIIXZXFU-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.40
Rot. Bonds11

About N-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide

N-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide (PubChem CID 19763705) has the molecular formula C28H31N5O and a molecular weight of 453.59 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide
PubChem CID19763705
Molecular FormulaC28H31N5O
Molecular Weight453.59 g/mol
Exact Mass453.25
IUPAC NameN-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide
SMILESCN(CCc1ccccc1)C(=O)Cc1ccc(CC(CCc2nn[nH]n2)c2ccccc2)cc1
InChIInChI=1S/C28H31N5O/c1-33(19-18-22-8-4-2-5-9-22)28(34)21-24-14-12-23(13-15-24)20-26(25-10-6-3-7-11-25)16-17-27-29-31-32-30-27/h2-15,26H,16-21H2,1H3,(H,29,30,31,32)
InChIKeyCUGRVOAIIXZXFU-UHFFFAOYSA-N
XLogP4.40
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide?
The IUPAC name of N-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide (CID 19763705) is N-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide?
The canonical SMILES for N-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide is CN(CCc1ccccc1)C(=O)Cc1ccc(CC(CCc2nn[nH]n2)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide?
The InChIKey is CUGRVOAIIXZXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O/c1-33(19-18-22-8-4-2-5-9-22)28(34)21-24-14-12-23(13-15-24)20-26(25-10-6-3-7-11-25)16-17-27-29-31-32-30-27/h2-15,26H,16-21H2,1H3,(H,29,30,31,32).
What are the key properties of N-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide?
N-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide has a molecular weight of 453.59 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)-2-[4-[2-phenyl-4-(2H-tetrazol-5-yl)butyl]phenyl]acetamide is sourced from PubChem (CID 19763705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).