3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea

C15H23N3O — CID 107653183

IUPAC3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea
SMILESCN(CC1CCCN1C)C(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O/c1-17-10-6-9-14(17)12-18(2)15(19)16-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,16,19)
InChIKeyGEJPLSFWLCUPIK-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.92
Rot. Bonds4

About 3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea

3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea (PubChem CID 107653183) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea.

Molecular Properties

Compound Name3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea
PubChem CID107653183
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea
SMILESCN(CC1CCCN1C)C(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O/c1-17-10-6-9-14(17)12-18(2)15(19)16-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,16,19)
InChIKeyGEJPLSFWLCUPIK-UHFFFAOYSA-N
XLogP1.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide
CID 79313317
3-benzhydryl-1-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea
CID 126432631
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one
CID 79318976
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56713380
1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea
CID 116656611
2-(2-hydroxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 80741271
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
3-hydroxy-3-methyl-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 79319597
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
3-[[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81071790
4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303600
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-4-oxobut-2-enoic acid
CID 79319754

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea?
The IUPAC name of 3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea (CID 107653183) is 3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea.
What is the SMILES notation for 3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea?
The canonical SMILES for 3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea is CN(CC1CCCN1C)C(=O)NCc1ccccc1.
What is the InChIKey of 3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea?
The InChIKey is GEJPLSFWLCUPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17-10-6-9-14(17)12-18(2)15(19)16-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,16,19).
What are the key properties of 3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea?
3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea has a molecular weight of 261.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea is sourced from PubChem (CID 107653183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).