N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide

C24H26FN3O2 — CID 97256758

IUPACN-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide
SMILESC[C@@H](c1cccc(-c2ccncc2)c1)N(C)CC(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C24H26FN3O2/c1-18(20-5-3-6-21(15-20)19-9-11-26-12-10-19)28(2)17-24(29)27-13-14-30-23-8-4-7-22(25)16-23/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,27,29)/t18-/m0/s1
InChIKeyLSQIUJRYJRIVFC-SFHVURJKSA-N
MW407.49 g/mol
LogP4.08
Rot. Bonds9

About N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide

N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide (PubChem CID 97256758) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide
PubChem CID97256758
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide
SMILESC[C@@H](c1cccc(-c2ccncc2)c1)N(C)CC(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C24H26FN3O2/c1-18(20-5-3-6-21(15-20)19-9-11-26-12-10-19)28(2)17-24(29)27-13-14-30-23-8-4-7-22(25)16-23/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,27,29)/t18-/m0/s1
InChIKeyLSQIUJRYJRIVFC-SFHVURJKSA-N
XLogP4.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide 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

2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide
CID 60505360
2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid
CID 122100687
N-[2-(3-fluorophenoxy)ethyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 78900142
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970330
2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide
CID 110481408
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 55706851
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 166427822
2-[methyl-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]amino]propanoic acid
CID 119912627
N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479593
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide
CID 110482529

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide (CID 97256758) is N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide is C[C@@H](c1cccc(-c2ccncc2)c1)N(C)CC(=O)NCCOc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide?
The InChIKey is LSQIUJRYJRIVFC-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-18(20-5-3-6-21(15-20)19-9-11-26-12-10-19)28(2)17-24(29)27-13-14-30-23-8-4-7-22(25)16-23/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,27,29)/t18-/m0/s1.
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide?
N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide has a molecular weight of 407.49 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 97256758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).