1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea

C17H25N3O — CID 91644552

IUPAC1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea
SMILESCN(C)c1ccc(CCCNC(=O)NC2CC=CC2)cc1
InChIInChI=1S/C17H25N3O/c1-20(2)16-11-9-14(10-12-16)6-5-13-18-17(21)19-15-7-3-4-8-15/h3-4,9-12,15H,5-8,13H2,1-2H3,(H2,18,19,21)
InChIKeyJEDSCJNAWNEWLE-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.70
Rot. Bonds6

About 1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea

1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea (PubChem CID 91644552) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea.

Molecular Properties

Compound Name1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea
PubChem CID91644552
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea
SMILESCN(C)c1ccc(CCCNC(=O)NC2CC=CC2)cc1
InChIInChI=1S/C17H25N3O/c1-20(2)16-11-9-14(10-12-16)6-5-13-18-17(21)19-15-7-3-4-8-15/h3-4,9-12,15H,5-8,13H2,1-2H3,(H2,18,19,21)
InChIKeyJEDSCJNAWNEWLE-UHFFFAOYSA-N
XLogP2.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892026
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504886
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104065
N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide
CID 86988079
N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide
CID 86994929
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(2-fluorophenyl)urea
CID 38887391
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924358
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(4-methylsulfonylphenyl)urea
CID 86987517
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide
CID 16891976
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea
CID 86989236
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86988223
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea?
The IUPAC name of 1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea (CID 91644552) is 1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea.
What is the SMILES notation for 1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea?
The canonical SMILES for 1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea is CN(C)c1ccc(CCCNC(=O)NC2CC=CC2)cc1.
What is the InChIKey of 1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea?
The InChIKey is JEDSCJNAWNEWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-20(2)16-11-9-14(10-12-16)6-5-13-18-17(21)19-15-7-3-4-8-15/h3-4,9-12,15H,5-8,13H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea?
1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea has a molecular weight of 287.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea is sourced from PubChem (CID 91644552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).