2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide

C22H28N2O4 — CID 56668823

IUPAC2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESCCOc1cc(OCCCN2CCCC2)ccc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C22H28N2O4/c1-2-27-21-16-19(28-14-6-13-24-11-3-4-12-24)9-10-20(21)22(26)23-17-7-5-8-18(25)15-17/h5,7-10,15-16,25H,2-4,6,11-14H2,1H3,(H,23,26)
InChIKeyIHPHROLUPIDQEV-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.91
Rot. Bonds9

About 2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide

2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide (PubChem CID 56668823) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
PubChem CID56668823
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESCCOc1cc(OCCCN2CCCC2)ccc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C22H28N2O4/c1-2-27-21-16-19(28-14-6-13-24-11-3-4-12-24)9-10-20(21)22(26)23-17-7-5-8-18(25)15-17/h5,7-10,15-16,25H,2-4,6,11-14H2,1H3,(H,23,26)
InChIKeyIHPHROLUPIDQEV-UHFFFAOYSA-N
XLogP3.91
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The IUPAC name of 2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide (CID 56668823) is 2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide.
What is the SMILES notation for 2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The canonical SMILES for 2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide is CCOc1cc(OCCCN2CCCC2)ccc1C(=O)Nc1cccc(O)c1.
What is the InChIKey of 2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The InChIKey is IHPHROLUPIDQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-2-27-21-16-19(28-14-6-13-24-11-3-4-12-24)9-10-20(21)22(26)23-17-7-5-8-18(25)15-17/h5,7-10,15-16,25H,2-4,6,11-14H2,1H3,(H,23,26).
What are the key properties of 2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide is sourced from PubChem (CID 56668823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).