1-benzyl-3-(cyclopentylmethyl)-1-ethylurea

C16H24N2O — CID 108902577

IUPAC1-benzyl-3-(cyclopentylmethyl)-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)NCC1CCCC1
InChIInChI=1S/C16H24N2O/c1-2-18(13-15-10-4-3-5-11-15)16(19)17-12-14-8-6-7-9-14/h3-5,10-11,14H,2,6-9,12-13H2,1H3,(H,17,19)
InChIKeyDFXWOHSWWNKGRZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.41
Rot. Bonds5

About 1-benzyl-3-(cyclopentylmethyl)-1-ethylurea

1-benzyl-3-(cyclopentylmethyl)-1-ethylurea (PubChem CID 108902577) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-benzyl-3-(cyclopentylmethyl)-1-ethylurea.

Molecular Properties

Compound Name1-benzyl-3-(cyclopentylmethyl)-1-ethylurea
PubChem CID108902577
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-benzyl-3-(cyclopentylmethyl)-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)NCC1CCCC1
InChIInChI=1S/C16H24N2O/c1-2-18(13-15-10-4-3-5-11-15)16(19)17-12-14-8-6-7-9-14/h3-5,10-11,14H,2,6-9,12-13H2,1H3,(H,17,19)
InChIKeyDFXWOHSWWNKGRZ-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dibenzyl-3-(cyclohexylmethyl)urea
CID 108902903
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide
CID 111082042
3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea
CID 126452399
3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea
CID 86940440
2-[benzyl(ethyl)amino]-N-(cyclopropylmethyl)acetamide
CID 134038287
1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea
CID 108887045
4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 109044420
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(cyclopentylmethyl)-1-ethylurea?
The IUPAC name of 1-benzyl-3-(cyclopentylmethyl)-1-ethylurea (CID 108902577) is 1-benzyl-3-(cyclopentylmethyl)-1-ethylurea.
What is the SMILES notation for 1-benzyl-3-(cyclopentylmethyl)-1-ethylurea?
The canonical SMILES for 1-benzyl-3-(cyclopentylmethyl)-1-ethylurea is CCN(Cc1ccccc1)C(=O)NCC1CCCC1.
What is the InChIKey of 1-benzyl-3-(cyclopentylmethyl)-1-ethylurea?
The InChIKey is DFXWOHSWWNKGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-18(13-15-10-4-3-5-11-15)16(19)17-12-14-8-6-7-9-14/h3-5,10-11,14H,2,6-9,12-13H2,1H3,(H,17,19).
What are the key properties of 1-benzyl-3-(cyclopentylmethyl)-1-ethylurea?
1-benzyl-3-(cyclopentylmethyl)-1-ethylurea has a molecular weight of 260.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(cyclopentylmethyl)-1-ethylurea is sourced from PubChem (CID 108902577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).