N-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide

C20H25NO4 — CID 134990650

IUPACN-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide
SMILESCCC(NC(=O)Cc1ccccc1)C(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-4-16(21-19(22)12-14-8-6-5-7-9-14)20(23)15-10-11-17(24-2)18(13-15)25-3/h5-11,13,16,20,23H,4,12H2,1-3H3,(H,21,22)
InChIKeyIRYTUSRXBOQGID-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.87
Rot. Bonds8

About N-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide

N-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide (PubChem CID 134990650) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide
PubChem CID134990650
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide
SMILESCCC(NC(=O)Cc1ccccc1)C(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-4-16(21-19(22)12-14-8-6-5-7-9-14)20(23)15-10-11-17(24-2)18(13-15)25-3/h5-11,13,16,20,23H,4,12H2,1-3H3,(H,21,22)
InChIKeyIRYTUSRXBOQGID-UHFFFAOYSA-N
XLogP2.87
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 6926087
4-(3,4-dimethoxyphenyl)-4-hydroxy-3-(methylamino)butanoic acid
CID 82348516
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 1271468
methyl 3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 73319978
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide
CID 133201762
3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 3466163
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 84579662
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate
CID 3465786
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide
CID 72717724
methyl (3S,4S)-3-[[2-(3-chloro-4-methoxyphenyl)acetyl]amino]-4-hydroxy-4-phenylbutanoate
CID 11143666
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide (CID 134990650) is N-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide is CCC(NC(=O)Cc1ccccc1)C(O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide?
The InChIKey is IRYTUSRXBOQGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-4-16(21-19(22)12-14-8-6-5-7-9-14)20(23)15-10-11-17(24-2)18(13-15)25-3/h5-11,13,16,20,23H,4,12H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide?
N-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide has a molecular weight of 343.42 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 134990650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).