(2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide

C19H22FNO3 — CID 99818320

IUPAC(2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)NCCOCc1ccccc1
InChIInChI=1S/C19H22FNO3/c1-2-17(24-18-11-7-6-10-16(18)20)19(22)21-12-13-23-14-15-8-4-3-5-9-15/h3-11,17H,2,12-14H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyDFIRCYRYRVZRTL-KRWDZBQOSA-N
MW331.39 g/mol
LogP3.32
Rot. Bonds9

About (2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide

(2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide (PubChem CID 99818320) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
PubChem CID99818320
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name(2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)NCCOCc1ccccc1
InChIInChI=1S/C19H22FNO3/c1-2-17(24-18-11-7-6-10-16(18)20)19(22)21-12-13-23-14-15-8-4-3-5-9-15/h3-11,17H,2,12-14H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyDFIRCYRYRVZRTL-KRWDZBQOSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
CID 40747099
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide
CID 133211115
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211113
N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119409107
2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 133239971
2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119434358
(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
CID 40747122
2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid
CID 119255707
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
(2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132312

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide (CID 99818320) is (2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide is CC[C@H](Oc1ccccc1F)C(=O)NCCOCc1ccccc1.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide?
The InChIKey is DFIRCYRYRVZRTL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-2-17(24-18-11-7-6-10-16(18)20)19(22)21-12-13-23-14-15-8-4-3-5-9-15/h3-11,17H,2,12-14H2,1H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide?
(2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide has a molecular weight of 331.39 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide is sourced from PubChem (CID 99818320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).