N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide

C24H36N2O3 — CID 68577879

IUPACN-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
SMILESO=C(NC1CCCC1)C1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1
InChIInChI=1S/C24H36N2O3/c27-23(25-21-6-1-2-7-21)24(12-18-28-19-13-24)20-8-10-22(11-9-20)29-17-5-16-26-14-3-4-15-26/h8-11,21H,1-7,12-19H2,(H,25,27)
InChIKeyINFDOTKGISOLHZ-UHFFFAOYSA-N
MW400.56 g/mol
LogP3.66
Rot. Bonds8

About N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide

N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide (PubChem CID 68577879) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
PubChem CID68577879
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC NameN-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
SMILESO=C(NC1CCCC1)C1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1
InChIInChI=1S/C24H36N2O3/c27-23(25-21-6-1-2-7-21)24(12-18-28-19-13-24)20-8-10-22(11-9-20)29-17-5-16-26-14-3-4-15-26/h8-11,21H,1-7,12-19H2,(H,25,27)
InChIKeyINFDOTKGISOLHZ-UHFFFAOYSA-N
XLogP3.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 53.66
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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Related Compounds

3-[4-[4-(aminomethyl)oxan-4-yl]phenoxy]-N-ethyl-N-methylpropan-1-amine;N-cyclobutyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 159044191
N,N-dimethyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68575652
4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 100679278
4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride
CID 68577604
azane;(2,2-dimethylazetidin-1-yl)-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methanone
CID 68579025
guanidine;4-[4-[3-(1,4-oxazepan-4-yl)propoxy]phenyl]oxane-4-carboxylic acid
CID 68578687
N-(dimethylaminomethylidene)-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68578480
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683600
N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine
CID 90860071
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine
CID 68577910
4-(4-fluorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]oxane-4-carboxamide
CID 100683737
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclohexanamine
CID 68576619

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide?
The IUPAC name of N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide (CID 68577879) is N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide is O=C(NC1CCCC1)C1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1.
What is the InChIKey of N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide?
The InChIKey is INFDOTKGISOLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3/c27-23(25-21-6-1-2-7-21)24(12-18-28-19-13-24)20-8-10-22(11-9-20)29-17-5-16-26-14-3-4-15-26/h8-11,21H,1-7,12-19H2,(H,25,27).
What are the key properties of N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide?
N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide has a molecular weight of 400.56 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 68577879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).