N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide

C21H27NO4 — CID 18090606

IUPACN-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(c2ccccc2)C(C)C)c(OC)c1OC
InChIInChI=1S/C21H27NO4/c1-14(2)19(15-9-7-6-8-10-15)22-18(23)13-16-11-12-17(24-3)21(26-5)20(16)25-4/h6-12,14,19H,13H2,1-5H3,(H,22,23)
InChIKeyKGAWYZFNIRXUSR-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.77
Rot. Bonds8

About N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide

N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 18090606) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID18090606
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(c2ccccc2)C(C)C)c(OC)c1OC
InChIInChI=1S/C21H27NO4/c1-14(2)19(15-9-7-6-8-10-15)22-18(23)13-16-11-12-17(24-3)21(26-5)20(16)25-4/h6-12,14,19H,13H2,1-5H3,(H,22,23)
InChIKeyKGAWYZFNIRXUSR-UHFFFAOYSA-N
XLogP3.77
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18089547
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9090600
2-(2-methoxyphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51213896
N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090212
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9089452
2-(2-fluorophenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 84915033
2-(4-methoxyphenoxy)-N-[(1R)-2-methyl-1-phenylpropyl]acetamide
CID 9050798
N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-phenylphenyl)acetamide
CID 2215611
N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025
1-phenyl-2-(2,3,4-trimethoxyphenyl)ethanone
CID 10108046

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide (CID 18090606) is N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide is COc1ccc(CC(=O)NC(c2ccccc2)C(C)C)c(OC)c1OC.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is KGAWYZFNIRXUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-14(2)19(15-9-7-6-8-10-15)22-18(23)13-16-11-12-17(24-3)21(26-5)20(16)25-4/h6-12,14,19H,13H2,1-5H3,(H,22,23).
What are the key properties of N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide?
N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 357.45 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 18090606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).