(3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide

C19H22F3NO5 — CID 97071216

IUPAC(3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
SMILESCOc1ccc([C@H](C)NC(=O)C[C@@](O)(c2ccc(C)o2)C(F)(F)F)cc1OC
InChIInChI=1S/C19H22F3NO5/c1-11-5-8-16(28-11)18(25,19(20,21)22)10-17(24)23-12(2)13-6-7-14(26-3)15(9-13)27-4/h5-9,12,25H,10H2,1-4H3,(H,23,24)/t12-,18+/m0/s1
InChIKeyYOZSWUYEIIFTGD-KPZWWZAWSA-N
MW401.38 g/mol
LogP3.62
Rot. Bonds7

About (3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide

(3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide (PubChem CID 97071216) has the molecular formula C19H22F3NO5 and a molecular weight of 401.38 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
PubChem CID97071216
Molecular FormulaC19H22F3NO5
Molecular Weight401.38 g/mol
Exact Mass401.15
IUPAC Name(3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
SMILESCOc1ccc([C@H](C)NC(=O)C[C@@](O)(c2ccc(C)o2)C(F)(F)F)cc1OC
InChIInChI=1S/C19H22F3NO5/c1-11-5-8-16(28-11)18(25,19(20,21)22)10-17(24)23-12(2)13-6-7-14(26-3)15(9-13)27-4/h5-9,12,25H,10H2,1-4H3,(H,23,24)/t12-,18+/m0/s1
InChIKeyYOZSWUYEIIFTGD-KPZWWZAWSA-N
XLogP3.62
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide
CID 110883212
(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 97108887
methyl 3-(furan-2-yl)-2-[[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanoyl]amino]propanoate
CID 146148706
(2R)-1-[[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 124881517
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971097
2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329495
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 94048948
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
The IUPAC name of (3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide (CID 97071216) is (3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide.
What is the SMILES notation for (3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
The canonical SMILES for (3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide is COc1ccc([C@H](C)NC(=O)C[C@@](O)(c2ccc(C)o2)C(F)(F)F)cc1OC.
What is the InChIKey of (3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
The InChIKey is YOZSWUYEIIFTGD-KPZWWZAWSA-N. The full InChI is InChI=1S/C19H22F3NO5/c1-11-5-8-16(28-11)18(25,19(20,21)22)10-17(24)23-12(2)13-6-7-14(26-3)15(9-13)27-4/h5-9,12,25H,10H2,1-4H3,(H,23,24)/t12-,18+/m0/s1.
What are the key properties of (3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
(3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide has a molecular weight of 401.38 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide is sourced from PubChem (CID 97071216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).