2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide

C21H28N2O — CID 9028707

IUPAC2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)c1ccc(CN(C)CC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-17(2)20-11-9-19(10-12-20)15-23(3)16-21(24)22-14-13-18-7-5-4-6-8-18/h4-12,17H,13-16H2,1-3H3,(H,22,24)
InChIKeyYUHHHCVIAXBBJV-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.60
Rot. Bonds8

About 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide

2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide (PubChem CID 9028707) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
PubChem CID9028707
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)c1ccc(CN(C)CC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-17(2)20-11-9-19(10-12-20)15-23(3)16-21(24)22-14-13-18-7-5-4-6-8-18/h4-12,17H,13-16H2,1-3H3,(H,22,24)
InChIKeyYUHHHCVIAXBBJV-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2-phenylethyl)acetamide
CID 9261639
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 18124296
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8814918
2-[benzyl(methylsulfonyl)amino]-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 100750228
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 8924126
N-(2-methylphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028527
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2541418
N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028269
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide (CID 9028707) is 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide is CC(C)c1ccc(CN(C)CC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is YUHHHCVIAXBBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17(2)20-11-9-19(10-12-20)15-23(3)16-21(24)22-14-13-18-7-5-4-6-8-18/h4-12,17H,13-16H2,1-3H3,(H,22,24).
What are the key properties of 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide?
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 324.47 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 9028707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).