N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide

C15H22N2O2 — CID 112971818

IUPACN-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide
SMILESCCc1cccc(OCCNC(=O)N2CCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-2-13-6-5-7-14(12-13)19-11-8-16-15(18)17-9-3-4-10-17/h5-7,12H,2-4,8-11H2,1H3,(H,16,18)
InChIKeyXTBGOYQMSOIHHA-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.43
Rot. Bonds5

About N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide

N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide (PubChem CID 112971818) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide
PubChem CID112971818
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide
SMILESCCc1cccc(OCCNC(=O)N2CCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-2-13-6-5-7-14(12-13)19-11-8-16-15(18)17-9-3-4-10-17/h5-7,12H,2-4,8-11H2,1H3,(H,16,18)
InChIKeyXTBGOYQMSOIHHA-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-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-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 112971854
N-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 112971880
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112972956
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide
CID 112975604
N-[2-(2-ethylphenoxy)ethyl]piperidine-1-carboxamide
CID 112971635
N-[2-(3,4-difluorophenoxy)ethyl]azepane-1-carboxamide
CID 112976355
N-[2-(2,6-dimethylphenoxy)ethyl]azepane-1-carboxamide
CID 112973327
N-[2-(3-ethylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113100017
4-(3-ethylphenoxy)-2-(pyrrolidine-1-carbonyl)butanenitrile
CID 82136788
4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
CID 112969940
3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea
CID 112971905

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide (CID 112971818) is N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide is CCc1cccc(OCCNC(=O)N2CCCC2)c1.
What is the InChIKey of N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is XTBGOYQMSOIHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-13-6-5-7-14(12-13)19-11-8-16-15(18)17-9-3-4-10-17/h5-7,12H,2-4,8-11H2,1H3,(H,16,18).
What are the key properties of N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide?
N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 112971818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).