N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide

C19H23NO2 — CID 124636638

IUPACN-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
SMILESCC(=O)N(C)CC[C@@H](Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-15-9-7-8-12-18(15)22-19(13-14-20(3)16(2)21)17-10-5-4-6-11-17/h4-12,19H,13-14H2,1-3H3/t19-/m1/s1
InChIKeySMZRBBJYIFTOSK-LJQANCHMSA-N
MW297.40 g/mol
LogP3.98
Rot. Bonds6

About N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide

N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide (PubChem CID 124636638) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
PubChem CID124636638
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
SMILESCC(=O)N(C)CC[C@@H](Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-15-9-7-8-12-18(15)22-19(13-14-20(3)16(2)21)17-10-5-4-6-11-17/h4-12,19H,13-14H2,1-3H3/t19-/m1/s1
InChIKeySMZRBBJYIFTOSK-LJQANCHMSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine
CID 143896627
sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980199
potassium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980198
N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 58600354
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide
CID 54759816
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
[4-[3-(dimethylamino)-1-phenylpropoxy]-3-methylphenyl] acetate
CID 67067621
1-(3-chloro-1-phenylpropoxy)-2-methylbenzene
CID 14054163
N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
CID 59648964
[3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid
CID 138687817
N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide
CID 90685594
tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
CID 142700885

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide?
The IUPAC name of N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide (CID 124636638) is N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide.
What is the SMILES notation for N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide?
The canonical SMILES for N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide is CC(=O)N(C)CC[C@@H](Oc1ccccc1C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide?
The InChIKey is SMZRBBJYIFTOSK-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15-9-7-8-12-18(15)22-19(13-14-20(3)16(2)21)17-10-5-4-6-11-17/h4-12,19H,13-14H2,1-3H3/t19-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide?
N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide is sourced from PubChem (CID 124636638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).