N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C17H26N2O2 — CID 106980020

IUPACN-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(C)CCOc2ccccc2)CCNC1
InChIInChI=1S/C17H26N2O2/c1-14(2)17(9-10-18-13-17)16(20)19(3)11-12-21-15-7-5-4-6-8-15/h4-8,14,18H,9-13H2,1-3H3
InChIKeyHQKGJTIJZCAKCL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.16
Rot. Bonds6

About N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980020) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980020
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(C)CCOc2ccccc2)CCNC1
InChIInChI=1S/C17H26N2O2/c1-14(2)17(9-10-18-13-17)16(20)19(3)11-12-21-15-7-5-4-6-8-15/h4-8,14,18H,9-13H2,1-3H3
InChIKeyHQKGJTIJZCAKCL-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 106979980
N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979682
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 119695349
N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide
CID 106980739
N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide
CID 63122202
N-[(3,4-difluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980069
N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethylpiperidine-3-carboxamide
CID 119943919
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980027
N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63139967
4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 119695687
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980175
(3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide
CID 125146122

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980020) is N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)N(C)CCOc2ccccc2)CCNC1.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is HQKGJTIJZCAKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)17(9-10-18-13-17)16(20)19(3)11-12-21-15-7-5-4-6-8-15/h4-8,14,18H,9-13H2,1-3H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).