1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide

C23H28FN3O3 — CID 46537645

IUPAC1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1
InChIInChI=1S/C23H28FN3O3/c1-27(15-16-30-20-11-9-19(24)10-12-20)21(28)23(13-5-6-14-23)26-22(29)25-17-18-7-3-2-4-8-18/h2-4,7-12H,5-6,13-17H2,1H3,(H2,25,26,29)
InChIKeyQUPFTIFNFDRNLC-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.48
Rot. Bonds8

About 1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide

1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 46537645) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is 1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
PubChem CID46537645
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1
InChIInChI=1S/C23H28FN3O3/c1-27(15-16-30-20-11-9-19(24)10-12-20)21(28)23(13-5-6-14-23)26-22(29)25-17-18-7-3-2-4-8-18/h2-4,7-12H,5-6,13-17H2,1H3,(H2,25,26,29)
InChIKeyQUPFTIFNFDRNLC-UHFFFAOYSA-N
XLogP3.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
CID 46537087
1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide
CID 39948049
N-benzyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]propanamide
CID 74519943
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 27533745
N-(1,3-benzodioxol-5-ylmethyl)-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
CID 55534687
1-(benzylcarbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 55618250
4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide
CID 120920103
1-(benzylcarbamoylamino)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119549992
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
CID 60676113
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274352
3-benzyl-1-[2-(4-formylphenoxy)ethyl]-1-methylurea
CID 10245009

Frequently Asked Questions

What is the IUPAC name of 1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide (CID 46537645) is 1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide is CN(CCOc1ccc(F)cc1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1.
What is the InChIKey of 1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is QUPFTIFNFDRNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-27(15-16-30-20-11-9-19(24)10-12-20)21(28)23(13-5-6-14-23)26-22(29)25-17-18-7-3-2-4-8-18/h2-4,7-12H,5-6,13-17H2,1H3,(H2,25,26,29).
What are the key properties of 1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 46537645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).