[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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Related Compounds

methyl 3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 56906374
O-[3-[(3S)-dithiolan-3-yl]phenyl] N-(2-morpholin-4-ylethyl)carbamothioate
CID 142642047
4-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 139022313
[3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate
CID 69474634
1-(4-methylsulfanylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone
CID 67545408
(2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide
CID 126450255
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350
N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717787
2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22680140
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
CID 45242464

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).