N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide

C21H27NO4 — CID 19363289

IUPACN-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide
SMILESCCCCCOc1cc(C(=O)NCCc2ccc(O)cc2)ccc1OC
InChIInChI=1S/C21H27NO4/c1-3-4-5-14-26-20-15-17(8-11-19(20)25-2)21(24)22-13-12-16-6-9-18(23)10-7-16/h6-11,15,23H,3-5,12-14H2,1-2H3,(H,22,24)
InChIKeyIERLRMLQFZKDGB-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.94
Rot. Bonds10

About N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide

N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide (PubChem CID 19363289) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide
PubChem CID19363289
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide
SMILESCCCCCOc1cc(C(=O)NCCc2ccc(O)cc2)ccc1OC
InChIInChI=1S/C21H27NO4/c1-3-4-5-14-26-20-15-17(8-11-19(20)25-2)21(24)22-13-12-16-6-9-18(23)10-7-16/h6-11,15,23H,3-5,12-14H2,1-2H3,(H,22,24)
InChIKeyIERLRMLQFZKDGB-UHFFFAOYSA-N
XLogP3.94
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide (CID 19363289) is N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide is CCCCCOc1cc(C(=O)NCCc2ccc(O)cc2)ccc1OC.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide?
The InChIKey is IERLRMLQFZKDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-3-4-5-14-26-20-15-17(8-11-19(20)25-2)21(24)22-13-12-16-6-9-18(23)10-7-16/h6-11,15,23H,3-5,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide?
N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide has a molecular weight of 357.45 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide is sourced from PubChem (CID 19363289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).