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

C23H30N2O4 — CID 56675700

IUPACN-(3-hydroxyphenyl)-2-propoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESCCCOc1cc(OCCCN2CCCC2)ccc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C23H30N2O4/c1-2-14-29-22-17-20(28-15-6-13-25-11-3-4-12-25)9-10-21(22)23(27)24-18-7-5-8-19(26)16-18/h5,7-10,16-17,26H,2-4,6,11-15H2,1H3,(H,24,27)
InChIKeyOUUFECBZKWUVIX-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.30
Rot. Bonds10

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

N-(3-hydroxyphenyl)-2-propoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide (PubChem CID 56675700) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-propoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-propoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide
PubChem CID56675700
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-(3-hydroxyphenyl)-2-propoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESCCCOc1cc(OCCCN2CCCC2)ccc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C23H30N2O4/c1-2-14-29-22-17-20(28-15-6-13-25-11-3-4-12-25)9-10-21(22)23(27)24-18-7-5-8-19(26)16-18/h5,7-10,16-17,26H,2-4,6,11-15H2,1H3,(H,24,27)
InChIKeyOUUFECBZKWUVIX-UHFFFAOYSA-N
XLogP4.30
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.30
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 N-(3-hydroxyphenyl)-2-propoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-propoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide (CID 56675700) is N-(3-hydroxyphenyl)-2-propoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-propoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-propoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide is CCCOc1cc(OCCCN2CCCC2)ccc1C(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-propoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The InChIKey is OUUFECBZKWUVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-2-14-29-22-17-20(28-15-6-13-25-11-3-4-12-25)9-10-21(22)23(27)24-18-7-5-8-19(26)16-18/h5,7-10,16-17,26H,2-4,6,11-15H2,1H3,(H,24,27).
What are the key properties of N-(3-hydroxyphenyl)-2-propoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
N-(3-hydroxyphenyl)-2-propoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide has a molecular weight of 398.50 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-propoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide is sourced from PubChem (CID 56675700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).