[4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea

C16H23N3O — CID 103904492

IUPAC[4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea
SMILESCC(NCCC1=CCCC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H23N3O/c1-12(18-11-10-13-4-2-3-5-13)14-6-8-15(9-7-14)19-16(17)20/h4,6-9,12,18H,2-3,5,10-11H2,1H3,(H3,17,19,20)
InChIKeyIHBLFEADOWRSPV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.33
Rot. Bonds6

About [4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea

[4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea (PubChem CID 103904492) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea
PubChem CID103904492
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea
SMILESCC(NCCC1=CCCC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H23N3O/c1-12(18-11-10-13-4-2-3-5-13)14-6-8-15(9-7-14)19-16(17)20/h4,6-9,12,18H,2-3,5,10-11H2,1H3,(H3,17,19,20)
InChIKeyIHBLFEADOWRSPV-UHFFFAOYSA-N
XLogP3.33
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106169289
[4-[1-(2-phenylethylamino)ethyl]phenyl]urea
CID 43749979
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
CID 43754835
[4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea
CID 80685837
N-[2-(cyclopenten-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 106169038
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide
CID 60638654
2-[2-(cyclohexen-1-yl)ethylamino]-4-oxo-4-(4-propan-2-ylanilino)butanoic acid
CID 3355490
1-(1,3-benzodioxol-5-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 103904485
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
[4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea
CID 61039249

Frequently Asked Questions

What is the IUPAC name of [4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea (CID 103904492) is [4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea is CC(NCCC1=CCCC1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea?
The InChIKey is IHBLFEADOWRSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(18-11-10-13-4-2-3-5-13)14-6-8-15(9-7-14)19-16(17)20/h4,6-9,12,18H,2-3,5,10-11H2,1H3,(H3,17,19,20).
What are the key properties of [4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea?
[4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea has a molecular weight of 273.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea is sourced from PubChem (CID 103904492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).