[3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate

C24H31N3O3 — CID 23361307

IUPAC[3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate
SMILESO=C(NCCN1CCOCC1)Oc1cccc(C2CCCN2Cc2ccccc2)c1
InChIInChI=1S/C24H31N3O3/c28-24(25-11-13-26-14-16-29-17-15-26)30-22-9-4-8-21(18-22)23-10-5-12-27(23)19-20-6-2-1-3-7-20/h1-4,6-9,18,23H,5,10-17,19H2,(H,25,28)
InChIKeyXKDFXJSIRFTATE-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.44
Rot. Bonds7

About [3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate

[3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate (PubChem CID 23361307) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is [3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate.

Molecular Properties

Compound Name[3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate
PubChem CID23361307
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name[3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate
SMILESO=C(NCCN1CCOCC1)Oc1cccc(C2CCCN2Cc2ccccc2)c1
InChIInChI=1S/C24H31N3O3/c28-24(25-11-13-26-14-16-29-17-15-26)30-22-9-4-8-21(18-22)23-10-5-12-27(23)19-20-6-2-1-3-7-20/h1-4,6-9,18,23H,5,10-17,19H2,(H,25,28)
InChIKeyXKDFXJSIRFTATE-UHFFFAOYSA-N
XLogP3.44
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate?
The IUPAC name of [3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate (CID 23361307) is [3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate.
What is the SMILES notation for [3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate?
The canonical SMILES for [3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate is O=C(NCCN1CCOCC1)Oc1cccc(C2CCCN2Cc2ccccc2)c1.
What is the InChIKey of [3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate?
The InChIKey is XKDFXJSIRFTATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-24(25-11-13-26-14-16-29-17-15-26)30-22-9-4-8-21(18-22)23-10-5-12-27(23)19-20-6-2-1-3-7-20/h1-4,6-9,18,23H,5,10-17,19H2,(H,25,28).
What are the key properties of [3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate?
[3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate has a molecular weight of 409.53 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate is sourced from PubChem (CID 23361307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).