1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea

C26H36N4O2 — CID 98878630

IUPAC1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea
SMILESCCN(C(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C26H36N4O2/c1-4-30(23-14-15-28(19-23)18-22-10-6-5-7-11-22)26(31)27-24-12-8-9-13-25(24)29-16-20(2)32-21(3)17-29/h5-13,20-21,23H,4,14-19H2,1-3H3,(H,27,31)/t20-,21-,23+/m0/s1
InChIKeyALGDMLUEZYZRDO-QNWVGRARSA-N
MW436.60 g/mol
LogP4.43
Rot. Bonds6

About 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea

1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea (PubChem CID 98878630) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea.

Molecular Properties

Compound Name1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea
PubChem CID98878630
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea
SMILESCCN(C(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C26H36N4O2/c1-4-30(23-14-15-28(19-23)18-22-10-6-5-7-11-22)26(31)27-24-12-8-9-13-25(24)29-16-20(2)32-21(3)17-29/h5-13,20-21,23H,4,14-19H2,1-3H3,(H,27,31)/t20-,21-,23+/m0/s1
InChIKeyALGDMLUEZYZRDO-QNWVGRARSA-N
XLogP4.43
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea
CID 53234561
1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 53234558
1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[2-(difluoromethoxy)-5-methoxyphenyl]-1-ethylurea
CID 97308067
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
CID 94154582
1-(1-benzylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1-ethylurea
CID 53234320
1-(1-benzylpyrrolidin-3-yl)-3-[(3,4-difluorophenyl)methyl]-1-ethylurea
CID 123920650
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-[(2-hydroxyphenyl)methyl]-1-methylurea
CID 94154697
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide
CID 94469385
1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]urea
CID 123856552
1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
CID 51085659
3-[3-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122076921
1-(1-benzylpiperidin-4-yl)-3-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-1-ethylurea
CID 19960526

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea?
The IUPAC name of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea (CID 98878630) is 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea.
What is the SMILES notation for 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea?
The canonical SMILES for 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea is CCN(C(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea?
The InChIKey is ALGDMLUEZYZRDO-QNWVGRARSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-4-30(23-14-15-28(19-23)18-22-10-6-5-7-11-22)26(31)27-24-12-8-9-13-25(24)29-16-20(2)32-21(3)17-29/h5-13,20-21,23H,4,14-19H2,1-3H3,(H,27,31)/t20-,21-,23+/m0/s1.
What are the key properties of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea?
1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea has a molecular weight of 436.60 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea is sourced from PubChem (CID 98878630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).