1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea

C22H29N3O — CID 53234561

IUPAC1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea
SMILESCCN(C(=O)NCCc1ccccc1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H29N3O/c1-2-25(22(26)23-15-13-19-9-5-3-6-10-19)21-14-16-24(18-21)17-20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3,(H,23,26)
InChIKeyBIKOQVPYVFDPGS-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.54
Rot. Bonds7

About 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea

1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea (PubChem CID 53234561) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea
PubChem CID53234561
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea
SMILESCCN(C(=O)NCCc1ccccc1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H29N3O/c1-2-25(22(26)23-15-13-19-9-5-3-6-10-19)21-14-16-24(18-21)17-20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3,(H,23,26)
InChIKeyBIKOQVPYVFDPGS-UHFFFAOYSA-N
XLogP3.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 53234558
1-(1-benzylpyrrolidin-3-yl)-3-[2-(4-chlorophenyl)ethyl]-1-ethylthiourea
CID 3771963
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
1-benzyl-1-(1-benzylpyrrolidin-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 68753049
3-[2-[(1-benzylpyrrolidin-3-yl)amino]ethyl]-1,1-dimethylurea
CID 83108275
1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(1-benzylpyrrolidin-3-yl)-3-(2-naphthalen-1-ylethyl)urea
CID 69170012
1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-ethylurea
CID 98878630
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
1-(1-benzylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1-ethylthiourea
CID 23931715
1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]urea
CID 123856552
1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[2-(difluoromethoxy)-5-methoxyphenyl]-1-ethylurea
CID 97308067

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea (CID 53234561) is 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea is CCN(C(=O)NCCc1ccccc1)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea?
The InChIKey is BIKOQVPYVFDPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-25(22(26)23-15-13-19-9-5-3-6-10-19)21-14-16-24(18-21)17-20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3,(H,23,26).
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea?
1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea has a molecular weight of 351.49 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea is sourced from PubChem (CID 53234561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).