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

C23H31NO5 — CID 142673517

IUPAC(2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
SMILESCCO[C@H](COc1ccccc1)C(=O)NCCc1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C23H31NO5/c1-5-27-22(16-28-19-9-7-6-8-10-19)23(25)24-14-13-18-11-12-20(29-17(2)3)21(15-18)26-4/h6-12,15,17,22H,5,13-14,16H2,1-4H3,(H,24,25)/t22-/m1/s1
InChIKeyAOCDMSSZDUCYQD-JOCHJYFZSA-N
MW401.50 g/mol
LogP3.63
Rot. Bonds12

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

(2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide (PubChem CID 142673517) has the molecular formula C23H31NO5 and a molecular weight of 401.50 g/mol. Its IUPAC name is (2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
PubChem CID142673517
Molecular FormulaC23H31NO5
Molecular Weight401.50 g/mol
Exact Mass401.22
IUPAC Name(2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
SMILESCCO[C@H](COc1ccccc1)C(=O)NCCc1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C23H31NO5/c1-5-27-22(16-28-19-9-7-6-8-10-19)23(25)24-14-13-18-11-12-20(29-17(2)3)21(15-18)26-4/h6-12,15,17,22H,5,13-14,16H2,1-4H3,(H,24,25)/t22-/m1/s1
InChIKeyAOCDMSSZDUCYQD-JOCHJYFZSA-N
XLogP3.63
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 53.63
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
(2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673381
(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)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide
CID 142673390
(2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673508
3-(4-chlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-prop-2-ynoxypropanamide
CID 152565118
(2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
CID 142673411
(2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide
CID 142673511
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617
3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673450
(2R)-3-(3,4-dichlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide
CID 142673487

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide?
The IUPAC name of (2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide (CID 142673517) is (2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for (2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for (2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide is CCO[C@H](COc1ccccc1)C(=O)NCCc1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of (2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide?
The InChIKey is AOCDMSSZDUCYQD-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H31NO5/c1-5-27-22(16-28-19-9-7-6-8-10-19)23(25)24-14-13-18-11-12-20(29-17(2)3)21(15-18)26-4/h6-12,15,17,22H,5,13-14,16H2,1-4H3,(H,24,25)/t22-/m1/s1.
What are the key properties of (2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide?
(2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide has a molecular weight of 401.50 g/mol, XLogP of 3.63, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 142673517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).