N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide

C21H27NO2 — CID 171990032

IUPACN-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide
SMILESCCCC(=O)N[C@H](C)[C@H](c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H27NO2/c1-5-6-20(23)22-16(3)21(17-9-7-15(2)8-10-17)18-11-13-19(24-4)14-12-18/h7-14,16,21H,5-6H2,1-4H3,(H,22,23)/t16-,21-/m1/s1
InChIKeyZKEIIASTHDWLOZ-IIBYNOLFSA-N
MW325.45 g/mol
LogP4.44
Rot. Bonds7

About N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide

N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide (PubChem CID 171990032) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide
PubChem CID171990032
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide
SMILESCCCC(=O)N[C@H](C)[C@H](c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H27NO2/c1-5-6-20(23)22-16(3)21(17-9-7-15(2)8-10-17)18-11-13-19(24-4)14-12-18/h7-14,16,21H,5-6H2,1-4H3,(H,22,23)/t16-,21-/m1/s1
InChIKeyZKEIIASTHDWLOZ-IIBYNOLFSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate
CID 171990037
N-[1-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108796278
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 28574214
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 78814090
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate
CID 95783989
ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 102078700
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide
CID 93486915
4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
CID 30390615

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide?
The IUPAC name of N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide (CID 171990032) is N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide.
What is the SMILES notation for N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide?
The canonical SMILES for N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide is CCCC(=O)N[C@H](C)[C@H](c1ccc(C)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide?
The InChIKey is ZKEIIASTHDWLOZ-IIBYNOLFSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-6-20(23)22-16(3)21(17-9-7-15(2)8-10-17)18-11-13-19(24-4)14-12-18/h7-14,16,21H,5-6H2,1-4H3,(H,22,23)/t16-,21-/m1/s1.
What are the key properties of N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide?
N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide has a molecular weight of 325.45 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide is sourced from PubChem (CID 171990032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).