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

C15H23N3O — CID 103604163

IUPAC1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
SMILESCCN1CCCC1CNC(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O/c1-2-18-10-6-9-14(18)12-17-15(19)16-11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H2,16,17,19)
InChIKeyBXLUCWSXPVJOGY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.97
Rot. Bonds5

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

1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea (PubChem CID 103604163) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
PubChem CID103604163
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
SMILESCCN1CCCC1CNC(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O/c1-2-18-10-6-9-14(18)12-17-15(19)16-11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H2,16,17,19)
InChIKeyBXLUCWSXPVJOGY-UHFFFAOYSA-N
XLogP1.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
1-(2-benzylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 71876765
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide
CID 124878513
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 125144966
1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433973
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea
CID 109499715
3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45490962
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 70678323
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 8839794

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea (CID 103604163) is 1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea is CCN1CCCC1CNC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea?
The InChIKey is BXLUCWSXPVJOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-18-10-6-9-14(18)12-17-15(19)16-11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H2,16,17,19).
What are the key properties of 1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea?
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea has a molecular weight of 261.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea is sourced from PubChem (CID 103604163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).