(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide

C17H21FN2O3 — CID 41091288

IUPAC(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)N(C)C
InChIInChI=1S/C17H21FN2O3/c1-12(23-14-8-6-13(18)7-9-14)17(21)19-11-15(20(2)3)16-5-4-10-22-16/h4-10,12,15H,11H2,1-3H3,(H,19,21)/t12-,15+/m0/s1
InChIKeyFSHVXQXJTLETRN-SWLSCSKDSA-N
MW320.36 g/mol
LogP2.61
Rot. Bonds7

About (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide

(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide (PubChem CID 41091288) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide
PubChem CID41091288
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)N(C)C
InChIInChI=1S/C17H21FN2O3/c1-12(23-14-8-6-13(18)7-9-14)17(21)19-11-15(20(2)3)16-5-4-10-22-16/h4-10,12,15H,11H2,1-3H3,(H,19,21)/t12-,15+/m0/s1
InChIKeyFSHVXQXJTLETRN-SWLSCSKDSA-N
XLogP2.61
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide 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

(2R)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819063
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819067
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819070
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 55787034
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide
CID 94775937
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
(2R)-2-(4-fluorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 35128117
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide
CID 7382374

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide (CID 41091288) is (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide is C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)N(C)C.
What is the InChIKey of (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is FSHVXQXJTLETRN-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-12(23-14-8-6-13(18)7-9-14)17(21)19-11-15(20(2)3)16-5-4-10-22-16/h4-10,12,15H,11H2,1-3H3,(H,19,21)/t12-,15+/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide?
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide has a molecular weight of 320.36 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 41091288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).