(2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide

C22H28FNO5 — CID 142673508

IUPAC(2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCOc1cc(CCNC(=O)[C@H](COc2ccc(F)cc2)OC)ccc1OC(C)C
InChIInChI=1S/C22H28FNO5/c1-15(2)29-19-10-5-16(13-20(19)26-3)11-12-24-22(25)21(27-4)14-28-18-8-6-17(23)7-9-18/h5-10,13,15,21H,11-12,14H2,1-4H3,(H,24,25)/t21-/m0/s1
InChIKeyBPSJEDUGXWDWEJ-NRFANRHFSA-N
MW405.47 g/mol
LogP3.37
Rot. Bonds11

About (2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide

(2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide (PubChem CID 142673508) has the molecular formula C22H28FNO5 and a molecular weight of 405.47 g/mol. Its IUPAC name is (2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
PubChem CID142673508
Molecular FormulaC22H28FNO5
Molecular Weight405.47 g/mol
Exact Mass405.20
IUPAC Name(2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCOc1cc(CCNC(=O)[C@H](COc2ccc(F)cc2)OC)ccc1OC(C)C
InChIInChI=1S/C22H28FNO5/c1-15(2)29-19-10-5-16(13-20(19)26-3)11-12-24-22(25)21(27-4)14-28-18-8-6-17(23)7-9-18/h5-10,13,15,21H,11-12,14H2,1-4H3,(H,24,25)/t21-/m0/s1
InChIKeyBPSJEDUGXWDWEJ-NRFANRHFSA-N
XLogP3.37
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
CID 142673497
3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673450
3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 87258575
(2S)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide
CID 142673512
(2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide
CID 142673390
(2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide
CID 142673473
4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide
CID 142673515
(2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673381
(2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
CID 142673517
(2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
CID 142673411
(2R)-3-(3,4-dichlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide
CID 142673487
3-(4-chlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-prop-2-ynoxypropanamide
CID 152565118

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide?
The IUPAC name of (2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide (CID 142673508) is (2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide is COc1cc(CCNC(=O)[C@H](COc2ccc(F)cc2)OC)ccc1OC(C)C.
What is the InChIKey of (2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide?
The InChIKey is BPSJEDUGXWDWEJ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28FNO5/c1-15(2)29-19-10-5-16(13-20(19)26-3)11-12-24-22(25)21(27-4)14-28-18-8-6-17(23)7-9-18/h5-10,13,15,21H,11-12,14H2,1-4H3,(H,24,25)/t21-/m0/s1.
What are the key properties of (2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide?
(2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide has a molecular weight of 405.47 g/mol, XLogP of 3.37, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide is sourced from PubChem (CID 142673508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).