N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide

C20H25NO4 — CID 72717719

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC(O)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C20H25NO4/c1-4-16(14-8-6-5-7-9-14)20(23)21-13-17(22)15-10-11-18(24-2)19(12-15)25-3/h5-12,16-17,22H,4,13H2,1-3H3,(H,21,23)
InChIKeyQREAYPQWFMKGRM-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.05
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide (PubChem CID 72717719) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide
PubChem CID72717719
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC(O)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C20H25NO4/c1-4-16(14-8-6-5-7-9-14)20(23)21-13-17(22)15-10-11-18(24-2)19(12-15)25-3/h5-12,16-17,22H,4,13H2,1-3H3,(H,21,23)
InChIKeyQREAYPQWFMKGRM-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99903169
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenoxyacetamide
CID 90613291
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-ethylsulfanylbenzamide
CID 99903128
1-(2-chlorophenyl)-3-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 99903212
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenylbutanamide
CID 119099576
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 90613273
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2-methoxyphenyl)oxamide
CID 90613594
1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(2-phenoxyethyl)urea
CID 90613676
2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol
CID 57000376
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 597490
N'-tert-butyl-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 72717745
1-tert-butyl-3-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 99780012

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide (CID 72717719) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide is CCC(C(=O)NCC(O)c1ccc(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide?
The InChIKey is QREAYPQWFMKGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-4-16(14-8-6-5-7-9-14)20(23)21-13-17(22)15-10-11-18(24-2)19(12-15)25-3/h5-12,16-17,22H,4,13H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide has a molecular weight of 343.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide is sourced from PubChem (CID 72717719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).