N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

C15H22N2O3 — CID 119289297

IUPACN-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOCCOc1ccc(CNC(=O)C2CCCN2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-9-10-20-13-6-4-12(5-7-13)11-17-15(18)14-3-2-8-16-14/h4-7,14,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyMENKJTCNTPIXOB-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.08
Rot. Bonds7

About N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119289297) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID119289297
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOCCOc1ccc(CNC(=O)C2CCCN2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-9-10-20-13-6-4-12(5-7-13)11-17-15(18)14-3-2-8-16-14/h4-7,14,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyMENKJTCNTPIXOB-UHFFFAOYSA-N
XLogP1.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 119289286
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 110793789
(2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119848309
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119277640
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 176799707
N-[4-(2-methoxyethoxy)phenyl]piperidine-2-carboxamide
CID 43713427
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271349
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide
CID 119296308

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (CID 119289297) is N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is COCCOc1ccc(CNC(=O)C2CCCN2)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is MENKJTCNTPIXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-9-10-20-13-6-4-12(5-7-13)11-17-15(18)14-3-2-8-16-14/h4-7,14,16H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119289297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).