2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C27H30N2O — CID 70034048

IUPAC2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1cccc(CC2CCc3ccccc3C2N(Cc2ccccc2)C(=O)CN)c1
InChIInChI=1S/C27H30N2O/c1-20-8-7-11-22(16-20)17-24-15-14-23-12-5-6-13-25(23)27(24)29(26(30)18-28)19-21-9-3-2-4-10-21/h2-13,16,24,27H,14-15,17-19,28H2,1H3
InChIKeyPJJGAWGPOVMYSB-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.83
Rot. Bonds6

About 2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 70034048) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID70034048
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1cccc(CC2CCc3ccccc3C2N(Cc2ccccc2)C(=O)CN)c1
InChIInChI=1S/C27H30N2O/c1-20-8-7-11-22(16-20)17-24-15-14-23-12-5-6-13-25(23)27(24)29(26(30)18-28)19-21-9-3-2-4-10-21/h2-13,16,24,27H,14-15,17-19,28H2,1H3
InChIKeyPJJGAWGPOVMYSB-UHFFFAOYSA-N
XLogP4.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]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 2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 70034048) is 2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1cccc(CC2CCc3ccccc3C2N(Cc2ccccc2)C(=O)CN)c1.
What is the InChIKey of 2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is PJJGAWGPOVMYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c1-20-8-7-11-22(16-20)17-24-15-14-23-12-5-6-13-25(23)27(24)29(26(30)18-28)19-21-9-3-2-4-10-21/h2-13,16,24,27H,14-15,17-19,28H2,1H3.
What are the key properties of 2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 398.55 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 70034048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).