(2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide

C21H26FNO4 — CID 171688835

IUPAC(2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide
SMILESCC[C@@H](C(=O)N[C@H](C)c1cccc(F)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H26FNO4/c1-6-17(15-11-18(25-3)20(27-5)19(12-15)26-4)21(24)23-13(2)14-8-7-9-16(22)10-14/h7-13,17H,6H2,1-5H3,(H,23,24)/t13-,17-/m1/s1
InChIKeyNARGIVPJEYUVAG-CXAGYDPISA-N
MW375.44 g/mol
LogP4.22
Rot. Bonds8

About (2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide

(2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide (PubChem CID 171688835) has the molecular formula C21H26FNO4 and a molecular weight of 375.44 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide
PubChem CID171688835
Molecular FormulaC21H26FNO4
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name(2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide
SMILESCC[C@@H](C(=O)N[C@H](C)c1cccc(F)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H26FNO4/c1-6-17(15-11-18(25-3)20(27-5)19(12-15)26-4)21(24)23-13(2)14-8-7-9-16(22)10-14/h7-13,17H,6H2,1-5H3,(H,23,24)/t13-,17-/m1/s1
InChIKeyNARGIVPJEYUVAG-CXAGYDPISA-N
XLogP4.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)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

N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81365967
(2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide
CID 129358899
2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76897375
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 78987865
methyl 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]butanoate
CID 113292653
3-amino-4-[1-(3-fluorophenyl)ethylamino]-4-oxobutanoic acid
CID 64894767
2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 79814759

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide?
The IUPAC name of (2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide (CID 171688835) is (2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide is CC[C@@H](C(=O)N[C@H](C)c1cccc(F)c1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide?
The InChIKey is NARGIVPJEYUVAG-CXAGYDPISA-N. The full InChI is InChI=1S/C21H26FNO4/c1-6-17(15-11-18(25-3)20(27-5)19(12-15)26-4)21(24)23-13(2)14-8-7-9-16(22)10-14/h7-13,17H,6H2,1-5H3,(H,23,24)/t13-,17-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide?
(2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide has a molecular weight of 375.44 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide is sourced from PubChem (CID 171688835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).