(2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide

C23H28FNO3 — CID 100528499

IUPAC(2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21
InChIInChI=1S/C23H28FNO3/c1-4-19(27-21-14-10-8-12-17(21)24)22(26)25-18-15-23(5-2,6-3)28-20-13-9-7-11-16(18)20/h7-14,18-19H,4-6,15H2,1-3H3,(H,25,26)/t18-,19-/m1/s1
InChIKeyZJMJNVRFRGXPNB-RTBURBONSA-N
MW385.48 g/mol
LogP5.18
Rot. Bonds7

About (2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide

(2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide (PubChem CID 100528499) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is (2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide
PubChem CID100528499
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Name(2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21
InChIInChI=1S/C23H28FNO3/c1-4-19(27-21-14-10-8-12-17(21)24)22(26)25-18-15-23(5-2,6-3)28-20-13-9-7-11-16(18)20/h7-14,18-19H,4-6,15H2,1-3H3,(H,25,26)/t18-,19-/m1/s1
InChIKeyZJMJNVRFRGXPNB-RTBURBONSA-N
XLogP5.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide
CID 100708242
(2S)-2-(4-tert-butylphenoxy)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]butanamide
CID 100770619
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 133161152
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide
CID 133202111
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide
CID 100694409
2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132656164
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
(2S)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100525001
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 133186794
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100501762
(2S)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 100576805

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide?
The IUPAC name of (2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide (CID 100528499) is (2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide.
What is the SMILES notation for (2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide?
The canonical SMILES for (2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide is CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21.
What is the InChIKey of (2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide?
The InChIKey is ZJMJNVRFRGXPNB-RTBURBONSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-4-19(27-21-14-10-8-12-17(21)24)22(26)25-18-15-23(5-2,6-3)28-20-13-9-7-11-16(18)20/h7-14,18-19H,4-6,15H2,1-3H3,(H,25,26)/t18-,19-/m1/s1.
What are the key properties of (2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide?
(2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide has a molecular weight of 385.48 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 100528499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).