3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide

C19H27ClN2O3 — CID 126785969

IUPAC3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide
SMILESCOCCC1(CNC(=O)N2CCC(Oc3ccccc3Cl)C2)CCC1
InChIInChI=1S/C19H27ClN2O3/c1-24-12-10-19(8-4-9-19)14-21-18(23)22-11-7-15(13-22)25-17-6-3-2-5-16(17)20/h2-3,5-6,15H,4,7-14H2,1H3,(H,21,23)
InChIKeyBCLGOKKEJYSGTQ-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.71
Rot. Bonds7

About 3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide

3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 126785969) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide
PubChem CID126785969
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide
SMILESCOCCC1(CNC(=O)N2CCC(Oc3ccccc3Cl)C2)CCC1
InChIInChI=1S/C19H27ClN2O3/c1-24-12-10-19(8-4-9-19)14-21-18(23)22-11-7-15(13-22)25-17-6-3-2-5-16(17)20/h2-3,5-6,15H,4,7-14H2,1H3,(H,21,23)
InChIKeyBCLGOKKEJYSGTQ-UHFFFAOYSA-N
XLogP3.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006584
3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 126783238
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425823
(3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 124620229
1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123170
(2S)-2-amino-1-[(3R)-3-(2-chlorophenoxy)pyrrolidin-1-yl]pentan-1-one
CID 97261184
(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one
CID 124593505
(3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 124514067
1-[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549413
[3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone
CID 70771967
2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 103536134
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71850983

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide (CID 126785969) is 3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide is COCCC1(CNC(=O)N2CCC(Oc3ccccc3Cl)C2)CCC1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is BCLGOKKEJYSGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-24-12-10-19(8-4-9-19)14-21-18(23)22-11-7-15(13-22)25-17-6-3-2-5-16(17)20/h2-3,5-6,15H,4,7-14H2,1H3,(H,21,23).
What are the key properties of 3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide?
3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126785969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).