N-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide

C27H30N2O3 — CID 53389093

IUPACN-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(OCCCN2CCCC2)cc1OCc1ccccc1
InChIInChI=1S/C27H30N2O3/c30-27(28-23-12-5-2-6-13-23)25-15-14-24(31-19-9-18-29-16-7-8-17-29)20-26(25)32-21-22-10-3-1-4-11-22/h1-6,10-15,20H,7-9,16-19,21H2,(H,28,30)
InChIKeyRTZPKNVEYPCHHZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.38
Rot. Bonds10

About N-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide

N-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide (PubChem CID 53389093) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide.

Molecular Properties

Compound NameN-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide
PubChem CID53389093
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(OCCCN2CCCC2)cc1OCc1ccccc1
InChIInChI=1S/C27H30N2O3/c30-27(28-23-12-5-2-6-13-23)25-15-14-24(31-19-9-18-29-16-7-8-17-29)20-26(25)32-21-22-10-3-1-4-11-22/h1-6,10-15,20H,7-9,16-19,21H2,(H,28,30)
InChIKeyRTZPKNVEYPCHHZ-UHFFFAOYSA-N
XLogP5.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.38
H-Bond Donors ≤ 51
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-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The IUPAC name of N-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide (CID 53389093) is N-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide.
What is the SMILES notation for N-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The canonical SMILES for N-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide is O=C(Nc1ccccc1)c1ccc(OCCCN2CCCC2)cc1OCc1ccccc1.
What is the InChIKey of N-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The InChIKey is RTZPKNVEYPCHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c30-27(28-23-12-5-2-6-13-23)25-15-14-24(31-19-9-18-29-16-7-8-17-29)20-26(25)32-21-22-10-3-1-4-11-22/h1-6,10-15,20H,7-9,16-19,21H2,(H,28,30).
What are the key properties of N-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
N-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide has a molecular weight of 430.55 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide is sourced from PubChem (CID 53389093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).