N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide

C25H34N2O2 — CID 100658332

IUPACN-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
SMILESCCN(CC)CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C25H34N2O2/c1-3-27(4-2)19-10-20-29-23-15-13-22(14-16-23)26-24(28)25(17-8-9-18-25)21-11-6-5-7-12-21/h5-7,11-16H,3-4,8-10,17-20H2,1-2H3,(H,26,28)
InChIKeyORSKBUJVRDMRGP-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.25
Rot. Bonds10

About N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide

N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 100658332) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID100658332
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
SMILESCCN(CC)CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C25H34N2O2/c1-3-27(4-2)19-10-20-29-23-15-13-22(14-16-23)26-24(28)25(17-8-9-18-25)21-11-6-5-7-12-21/h5-7,11-16H,3-4,8-10,17-20H2,1-2H3,(H,26,28)
InChIKeyORSKBUJVRDMRGP-UHFFFAOYSA-N
XLogP5.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(dimethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658314
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659441
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673292
N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide
CID 100731388
N-[4-[3-(diethylamino)propoxy]phenyl]propanamide
CID 174597936
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658483
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674265
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-phenylcyclohexane-1-carboxamide
CID 100669515
N-[4-(2-bromoethoxy)phenyl]-4-phenyloxane-4-carboxamide
CID 100679083
N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide
CID 2947985
N-[4-[2-(diethylamino)ethoxy]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430502

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide (CID 100658332) is N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide is CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1.
What is the InChIKey of N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is ORSKBUJVRDMRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-3-27(4-2)19-10-20-29-23-15-13-22(14-16-23)26-24(28)25(17-8-9-18-25)21-11-6-5-7-12-21/h5-7,11-16H,3-4,8-10,17-20H2,1-2H3,(H,26,28).
What are the key properties of N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide?
N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 394.56 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 100658332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).