(2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide

C23H26ClNO5 — CID 87258614

IUPAC(2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
SMILESC#CCOc1ccc(CCNC(=O)[C@@H](COc2ccc(Cl)cc2)OCC)cc1OC
InChIInChI=1S/C23H26ClNO5/c1-4-14-29-20-11-6-17(15-21(20)27-3)12-13-25-23(26)22(28-5-2)16-30-19-9-7-18(24)8-10-19/h1,6-11,15,22H,5,12-14,16H2,2-3H3,(H,25,26)/t22-/m1/s1
InChIKeyKFHAQXNJPDWZCI-JOCHJYFZSA-N
MW431.92 g/mol
LogP3.50
Rot. Bonds12

About (2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide

(2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide (PubChem CID 87258614) has the molecular formula C23H26ClNO5 and a molecular weight of 431.92 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
PubChem CID87258614
Molecular FormulaC23H26ClNO5
Molecular Weight431.92 g/mol
Exact Mass431.15
IUPAC Name(2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
SMILESC#CCOc1ccc(CCNC(=O)[C@@H](COc2ccc(Cl)cc2)OCC)cc1OC
InChIInChI=1S/C23H26ClNO5/c1-4-14-29-20-11-6-17(15-21(20)27-3)12-13-25-23(26)22(28-5-2)16-30-19-9-7-18(24)8-10-19/h1,6-11,15,22H,5,12-14,16H2,2-3H3,(H,25,26)/t22-/m1/s1
InChIKeyKFHAQXNJPDWZCI-JOCHJYFZSA-N
XLogP3.50
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-prop-2-ynoxypropanamide
CID 152565118
(2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide
CID 87258755
3-(4-chlorophenoxy)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 11750051
(2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673381
(2S)-3-(4-ethylphenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 87258745
(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 87258708
3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 87258575
(2S)-2-ethoxy-3-(4-ethylphenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 87499671
(2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 87258667
2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-prop-2-ynoxyacetamide
CID 11292824
2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 45271214
(2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
CID 142673517

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide?
The IUPAC name of (2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide (CID 87258614) is (2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide is C#CCOc1ccc(CCNC(=O)[C@@H](COc2ccc(Cl)cc2)OCC)cc1OC.
What is the InChIKey of (2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide?
The InChIKey is KFHAQXNJPDWZCI-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26ClNO5/c1-4-14-29-20-11-6-17(15-21(20)27-3)12-13-25-23(26)22(28-5-2)16-30-19-9-7-18(24)8-10-19/h1,6-11,15,22H,5,12-14,16H2,2-3H3,(H,25,26)/t22-/m1/s1.
What are the key properties of (2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide?
(2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide has a molecular weight of 431.92 g/mol, XLogP of 3.50, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 87258614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).