N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide

C20H24N2O2 — CID 113054348

IUPACN-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1)Cc1ccc(C)cc1
InChIInChI=1S/C20H24N2O2/c1-16-8-10-19(11-9-16)15-22(17(2)23)13-12-21-20(24)14-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,21,24)
InChIKeyJXDIREHQVCXTBZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.70
Rot. Bonds7

About N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide

N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide (PubChem CID 113054348) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
PubChem CID113054348
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1)Cc1ccc(C)cc1
InChIInChI=1S/C20H24N2O2/c1-16-8-10-19(11-9-16)15-22(17(2)23)13-12-21-20(24)14-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,21,24)
InChIKeyJXDIREHQVCXTBZ-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113055438
N-[2-[acetyl(propyl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113051892
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113053917
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113055046
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide
CID 113054142
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113054765
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-3-chlorobenzamide
CID 113054357
N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113054043
2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
CID 113067963
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
CID 113118746

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide (CID 113054348) is N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide is CC(=O)N(CCNC(=O)Cc1ccccc1)Cc1ccc(C)cc1.
What is the InChIKey of N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide?
The InChIKey is JXDIREHQVCXTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-8-10-19(11-9-16)15-22(17(2)23)13-12-21-20(24)14-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide?
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide has a molecular weight of 324.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 113054348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).