3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide

C22H27Cl2NO5 — CID 142673450

IUPAC3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCOc1cc(CCNC(=O)C(COc2ccc(Cl)c(Cl)c2)OC)ccc1OC(C)C
InChIInChI=1S/C22H27Cl2NO5/c1-14(2)30-19-8-5-15(11-20(19)27-3)9-10-25-22(26)21(28-4)13-29-16-6-7-17(23)18(24)12-16/h5-8,11-12,14,21H,9-10,13H2,1-4H3,(H,25,26)
InChIKeyBSELNTFHUODOKA-UHFFFAOYSA-N
MW456.37 g/mol
LogP4.54
Rot. Bonds11

About 3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide

3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide (PubChem CID 142673450) has the molecular formula C22H27Cl2NO5 and a molecular weight of 456.37 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
PubChem CID142673450
Molecular FormulaC22H27Cl2NO5
Molecular Weight456.37 g/mol
Exact Mass455.13
IUPAC Name3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCOc1cc(CCNC(=O)C(COc2ccc(Cl)c(Cl)c2)OC)ccc1OC(C)C
InChIInChI=1S/C22H27Cl2NO5/c1-14(2)30-19-8-5-15(11-20(19)27-3)9-10-25-22(26)21(28-4)13-29-16-6-7-17(23)18(24)12-16/h5-8,11-12,14,21H,9-10,13H2,1-4H3,(H,25,26)
InChIKeyBSELNTFHUODOKA-UHFFFAOYSA-N
XLogP4.54
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-(3,4-dichlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide
CID 142673487
(2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673508
(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
(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)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
CID 142673521
3-(4-chlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-prop-2-ynoxypropanamide
CID 152565118
(2S)-3-(4-chlorophenoxy)-2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673407
(2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
CID 142673517
(2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide
CID 142673511

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide (CID 142673450) is 3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide is COc1cc(CCNC(=O)C(COc2ccc(Cl)c(Cl)c2)OC)ccc1OC(C)C.
What is the InChIKey of 3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide?
The InChIKey is BSELNTFHUODOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO5/c1-14(2)30-19-8-5-15(11-20(19)27-3)9-10-25-22(26)21(28-4)13-29-16-6-7-17(23)18(24)12-16/h5-8,11-12,14,21H,9-10,13H2,1-4H3,(H,25,26).
What are the key properties of 3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide?
3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide has a molecular weight of 456.37 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide is sourced from PubChem (CID 142673450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).