3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide

C21H27NO5 — CID 55797839

IUPAC3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide
SMILESCOCCOc1ccc(C(C)NC(=O)CCc2ccccc2O)cc1OC
InChIInChI=1S/C21H27NO5/c1-15(22-21(24)11-9-16-6-4-5-7-18(16)23)17-8-10-19(20(14-17)26-3)27-13-12-25-2/h4-8,10,14-15,23H,9,11-13H2,1-3H3,(H,22,24)
InChIKeyIQPBHHFCGHEDFL-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.24
Rot. Bonds10

About 3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide

3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide (PubChem CID 55797839) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide
PubChem CID55797839
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide
SMILESCOCCOc1ccc(C(C)NC(=O)CCc2ccccc2O)cc1OC
InChIInChI=1S/C21H27NO5/c1-15(22-21(24)11-9-16-6-4-5-7-18(16)23)17-8-10-19(20(14-17)26-3)27-13-12-25-2/h4-8,10,14-15,23H,9,11-13H2,1-3H3,(H,22,24)
InChIKeyIQPBHHFCGHEDFL-UHFFFAOYSA-N
XLogP3.24
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127121205
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094
3-amino-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]butanamide
CID 119722964
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 55980499
2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 55869434
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511204
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 55748572
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 108789414
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 51292726
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide (CID 55797839) is 3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide is COCCOc1ccc(C(C)NC(=O)CCc2ccccc2O)cc1OC.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide?
The InChIKey is IQPBHHFCGHEDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-15(22-21(24)11-9-16-6-4-5-7-18(16)23)17-8-10-19(20(14-17)26-3)27-13-12-25-2/h4-8,10,14-15,23H,9,11-13H2,1-3H3,(H,22,24).
What are the key properties of 3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide?
3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide has a molecular weight of 373.45 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide is sourced from PubChem (CID 55797839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).