1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea

C16H28N2O — CID 55597562

IUPAC1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea
SMILESO=C(NCCCC1CCCC1)NC(C1CC1)C1CC1
InChIInChI=1S/C16H28N2O/c19-16(17-11-3-6-12-4-1-2-5-12)18-15(13-7-8-13)14-9-10-14/h12-15H,1-11H2,(H2,17,18,19)
InChIKeyUOFKJWMOTZRKRZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.44
Rot. Bonds7

About 1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea

1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea (PubChem CID 55597562) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea
PubChem CID55597562
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea
SMILESO=C(NCCCC1CCCC1)NC(C1CC1)C1CC1
InChIInChI=1S/C16H28N2O/c19-16(17-11-3-6-12-4-1-2-5-12)18-15(13-7-8-13)14-9-10-14/h12-15H,1-11H2,(H2,17,18,19)
InChIKeyUOFKJWMOTZRKRZ-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-cyclopentylpropylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103995487
1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea
CID 86969896
(2S)-3-(3-cyclopentylpropylcarbamoylamino)-2-hydroxypropanoic acid
CID 114136387
3-cyclohexylpropylcarbamic acid
CID 54479876
(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
CID 114137096
N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide
CID 86969950
3-(3-cyclopentylpropylcarbamoylamino)-2-methylpropanoic acid
CID 114136378
2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid
CID 106005297
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea
CID 111337114
1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea
CID 36509029
1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111504730

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea?
The IUPAC name of 1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea (CID 55597562) is 1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea?
The canonical SMILES for 1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea is O=C(NCCCC1CCCC1)NC(C1CC1)C1CC1.
What is the InChIKey of 1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea?
The InChIKey is UOFKJWMOTZRKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-16(17-11-3-6-12-4-1-2-5-12)18-15(13-7-8-13)14-9-10-14/h12-15H,1-11H2,(H2,17,18,19).
What are the key properties of 1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea?
1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea has a molecular weight of 264.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea is sourced from PubChem (CID 55597562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).