(2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide

C22H29NO5 — CID 142673497

IUPAC(2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
SMILESCOc1cc(CCNC(=O)[C@@H](COc2ccccc2)OC)ccc1OC(C)C
InChIInChI=1S/C22H29NO5/c1-16(2)28-19-11-10-17(14-20(19)25-3)12-13-23-22(24)21(26-4)15-27-18-8-6-5-7-9-18/h5-11,14,16,21H,12-13,15H2,1-4H3,(H,23,24)/t21-/m1/s1
InChIKeyGIOBNGAXAXWELM-OAQYLSRUSA-N
MW387.48 g/mol
LogP3.24
Rot. Bonds11

About (2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide

(2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide (PubChem CID 142673497) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
PubChem CID142673497
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC Name(2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
SMILESCOc1cc(CCNC(=O)[C@@H](COc2ccccc2)OC)ccc1OC(C)C
InChIInChI=1S/C22H29NO5/c1-16(2)28-19-11-10-17(14-20(19)25-3)12-13-23-22(24)21(26-4)15-27-18-8-6-5-7-9-18/h5-11,14,16,21H,12-13,15H2,1-4H3,(H,23,24)/t21-/m1/s1
InChIKeyGIOBNGAXAXWELM-OAQYLSRUSA-N
XLogP3.24
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
CID 142673517
(2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673508
(2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide
CID 142673511
3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673450
(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
(2S)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide
CID 142673512
(2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673381
(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
(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
CID 142673521
(2S)-3-(4-chlorophenoxy)-2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673407

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide?
The IUPAC name of (2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide (CID 142673497) is (2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for (2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for (2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide is COc1cc(CCNC(=O)[C@@H](COc2ccccc2)OC)ccc1OC(C)C.
What is the InChIKey of (2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide?
The InChIKey is GIOBNGAXAXWELM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29NO5/c1-16(2)28-19-11-10-17(14-20(19)25-3)12-13-23-22(24)21(26-4)15-27-18-8-6-5-7-9-18/h5-11,14,16,21H,12-13,15H2,1-4H3,(H,23,24)/t21-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide?
(2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide has a molecular weight of 387.48 g/mol, XLogP of 3.24, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 142673497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).