(2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide

C21H27FN2O3 — CID 35343501

IUPAC(2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@H](c1ccccc1OC)N(C)C
InChIInChI=1S/C21H27FN2O3/c1-5-19(27-16-12-10-15(22)11-13-16)21(25)23-14-18(24(2)3)17-8-6-7-9-20(17)26-4/h6-13,18-19H,5,14H2,1-4H3,(H,23,25)/t18-,19-/m1/s1
InChIKeyCXBAZYPDYTXEEC-RTBURBONSA-N
MW374.46 g/mol
LogP3.41
Rot. Bonds9

About (2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide

(2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide (PubChem CID 35343501) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
PubChem CID35343501
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC Name(2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@H](c1ccccc1OC)N(C)C
InChIInChI=1S/C21H27FN2O3/c1-5-19(27-16-12-10-15(22)11-13-16)21(25)23-14-18(24(2)3)17-8-6-7-9-20(17)26-4/h6-13,18-19H,5,14H2,1-4H3,(H,23,25)/t18-,19-/m1/s1
InChIKeyCXBAZYPDYTXEEC-RTBURBONSA-N
XLogP3.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 99954339
(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide
CID 99952368
2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165278
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 41036483
2-(diethylamino)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-phenylacetamide
CID 56538316
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 53286332
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide (CID 35343501) is (2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide is CC[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@H](c1ccccc1OC)N(C)C.
What is the InChIKey of (2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide?
The InChIKey is CXBAZYPDYTXEEC-RTBURBONSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-5-19(27-16-12-10-15(22)11-13-16)21(25)23-14-18(24(2)3)17-8-6-7-9-20(17)26-4/h6-13,18-19H,5,14H2,1-4H3,(H,23,25)/t18-,19-/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide?
(2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide has a molecular weight of 374.46 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 35343501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).