N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide

C20H26N2O3 — CID 9131563

IUPACN-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c1
InChIInChI=1S/C20H26N2O3/c1-14(2)20(15-8-6-5-7-9-15)21-13-19(23)22-17-12-16(24-3)10-11-18(17)25-4/h5-12,14,20-21H,13H2,1-4H3,(H,22,23)/t20-/m1/s1
InChIKeyAKYJHGKAHUBORO-HXUWFJFHSA-N
MW342.44 g/mol
LogP3.63
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide

N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide (PubChem CID 9131563) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
PubChem CID9131563
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c1
InChIInChI=1S/C20H26N2O3/c1-14(2)20(15-8-6-5-7-9-15)21-13-19(23)22-17-12-16(24-3)10-11-18(17)25-4/h5-12,14,20-21H,13H2,1-4H3,(H,22,23)/t20-/m1/s1
InChIKeyAKYJHGKAHUBORO-HXUWFJFHSA-N
XLogP3.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991941
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 17406570
N-(2,5-dimethoxyphenyl)-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 17457335
(2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide
CID 51961248
N-(3-methoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131545
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 4145246
benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 8730102
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide
CID 8834661
N-(5-acetamido-2-methoxyphenyl)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetamide
CID 9129845
N-[(4-methoxyphenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131857

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide (CID 9131563) is N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide is COc1ccc(OC)c(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The InChIKey is AKYJHGKAHUBORO-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)20(15-8-6-5-7-9-15)21-13-19(23)22-17-12-16(24-3)10-11-18(17)25-4/h5-12,14,20-21H,13H2,1-4H3,(H,22,23)/t20-/m1/s1.
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide is sourced from PubChem (CID 9131563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).