1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea

C17H24N2O — CID 36509029

IUPAC1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NC(C1CC1)C1CC1
InChIInChI=1S/C17H24N2O/c20-17(19-16(14-8-9-14)15-10-11-15)18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H2,18,19,20)
InChIKeyLYGGYFSTTIXNHO-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.11
Rot. Bonds7

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

1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea (PubChem CID 36509029) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea
PubChem CID36509029
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NC(C1CC1)C1CC1
InChIInChI=1S/C17H24N2O/c20-17(19-16(14-8-9-14)15-10-11-15)18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H2,18,19,20)
InChIKeyLYGGYFSTTIXNHO-UHFFFAOYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.11
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

1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea
CID 111435397
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
3,3-dimethyl-2-(3-phenylpropylcarbamoylamino)butanoic acid
CID 61205206
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
1-[2-[bis[2-(3-phenylpropylcarbamoylamino)ethyl]amino]ethyl]-3-(3-phenylpropyl)urea
CID 101049094
1-[(E)-2-cyclopropylethenyl]-3-(4-phenylbutyl)urea
CID 108916022
1-[1-(2-bromophenyl)ethyl]-3-(3-phenylpropyl)urea
CID 74636274
(2R)-2-(3-cyclopropylpropylcarbamoylamino)-3-phenylpropanoic acid
CID 104902528
methyl 3-methyl-2-(3-phenylpropylcarbamoylamino)pentanoate
CID 3571846
N-(3-phenylpropyl)-2-piperidin-4-ylacetamide
CID 60905850

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea (CID 36509029) is 1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)NC(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea?
The InChIKey is LYGGYFSTTIXNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(19-16(14-8-9-14)15-10-11-15)18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H2,18,19,20).
What are the key properties of 1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea?
1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea has a molecular weight of 272.39 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 36509029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).