3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide

C19H28ClN3O3 — CID 126783238

IUPAC3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC1(C)COCCN1CCNC(=O)N1CCC(Oc2ccccc2Cl)C1
InChIInChI=1S/C19H28ClN3O3/c1-19(2)14-25-12-11-23(19)10-8-21-18(24)22-9-7-15(13-22)26-17-6-4-3-5-16(17)20/h3-6,15H,7-14H2,1-2H3,(H,21,24)
InChIKeyYTTMFHIKWKQPEJ-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.61
Rot. Bonds5

About 3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide

3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 126783238) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID126783238
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Name3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC1(C)COCCN1CCNC(=O)N1CCC(Oc2ccccc2Cl)C1
InChIInChI=1S/C19H28ClN3O3/c1-19(2)14-25-12-11-23(19)10-8-21-18(24)22-9-7-15(13-22)26-17-6-4-3-5-16(17)20/h3-6,15H,7-14H2,1-2H3,(H,21,24)
InChIKeyYTTMFHIKWKQPEJ-UHFFFAOYSA-N
XLogP2.61
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide (CID 126783238) is 3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide is CC1(C)COCCN1CCNC(=O)N1CCC(Oc2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is YTTMFHIKWKQPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3/c1-19(2)14-25-12-11-23(19)10-8-21-18(24)22-9-7-15(13-22)26-17-6-4-3-5-16(17)20/h3-6,15H,7-14H2,1-2H3,(H,21,24).
What are the key properties of 3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide?
3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 381.90 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126783238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).