N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide

C26H29NO3 — CID 97037046

IUPACN-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide
SMILESCCc1cc(OC)c(OC)cc1[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C26H29NO3/c1-4-21-17-24(29-2)25(30-3)18-22(21)23(15-19-11-7-5-8-12-19)27-26(28)16-20-13-9-6-10-14-20/h5-14,17-18,23H,4,15-16H2,1-3H3,(H,27,28)/t23-/m1/s1
InChIKeyYVHSCHVOJVDGFY-HSZRJFAPSA-N
MW403.52 g/mol
LogP4.91
Rot. Bonds9

About N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide

N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide (PubChem CID 97037046) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide
PubChem CID97037046
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC NameN-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide
SMILESCCc1cc(OC)c(OC)cc1[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C26H29NO3/c1-4-21-17-24(29-2)25(30-3)18-22(21)23(15-19-11-7-5-8-12-19)27-26(28)16-20-13-9-6-10-14-20/h5-14,17-18,23H,4,15-16H2,1-3H3,(H,27,28)/t23-/m1/s1
InChIKeyYVHSCHVOJVDGFY-HSZRJFAPSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 1271468
N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)ethyl]benzamide
CID 832433
3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 3466163
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 6926087
2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
CID 110322200
N-[2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 143753176
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide
CID 133201762
N-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide
CID 134990650
2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
CID 23739276

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide?
The IUPAC name of N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide (CID 97037046) is N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide.
What is the SMILES notation for N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide?
The canonical SMILES for N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide is CCc1cc(OC)c(OC)cc1[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1.
What is the InChIKey of N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide?
The InChIKey is YVHSCHVOJVDGFY-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H29NO3/c1-4-21-17-24(29-2)25(30-3)18-22(21)23(15-19-11-7-5-8-12-19)27-26(28)16-20-13-9-6-10-14-20/h5-14,17-18,23H,4,15-16H2,1-3H3,(H,27,28)/t23-/m1/s1.
What are the key properties of N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide?
N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide has a molecular weight of 403.52 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide is sourced from PubChem (CID 97037046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).