1-pentyl-3-(1-phenylcyclopropyl)urea

C15H22N2O — CID 110490775

IUPAC1-pentyl-3-(1-phenylcyclopropyl)urea
SMILESCCCCCNC(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c1-2-3-7-12-16-14(18)17-15(10-11-15)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H2,16,17,18)
InChIKeyGVHWUFQJCJYQHO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.17
Rot. Bonds6

About 1-pentyl-3-(1-phenylcyclopropyl)urea

1-pentyl-3-(1-phenylcyclopropyl)urea (PubChem CID 110490775) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-pentyl-3-(1-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-pentyl-3-(1-phenylcyclopropyl)urea
PubChem CID110490775
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-pentyl-3-(1-phenylcyclopropyl)urea
SMILESCCCCCNC(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c1-2-3-7-12-16-14(18)17-15(10-11-15)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H2,16,17,18)
InChIKeyGVHWUFQJCJYQHO-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.17
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

N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide
CID 110469237
1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea
CID 110676480
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-pentylurea
CID 113215989
4-[[1-(3-chlorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023166
N-(1-phenylcyclopropyl)propanamide
CID 110441332
1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea
CID 110490769
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023173
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
1-dodecyl-3-phenylurea
CID 3697946
1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea
CID 110490719
1,1-diethyl-3-(1-phenylcyclopropyl)urea
CID 110445142
N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide
CID 110491003

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-(1-phenylcyclopropyl)urea?
The IUPAC name of 1-pentyl-3-(1-phenylcyclopropyl)urea (CID 110490775) is 1-pentyl-3-(1-phenylcyclopropyl)urea.
What is the SMILES notation for 1-pentyl-3-(1-phenylcyclopropyl)urea?
The canonical SMILES for 1-pentyl-3-(1-phenylcyclopropyl)urea is CCCCCNC(=O)NC1(c2ccccc2)CC1.
What is the InChIKey of 1-pentyl-3-(1-phenylcyclopropyl)urea?
The InChIKey is GVHWUFQJCJYQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-7-12-16-14(18)17-15(10-11-15)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H2,16,17,18).
What are the key properties of 1-pentyl-3-(1-phenylcyclopropyl)urea?
1-pentyl-3-(1-phenylcyclopropyl)urea has a molecular weight of 246.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-(1-phenylcyclopropyl)urea is sourced from PubChem (CID 110490775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).