1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea

C13H19N3O — CID 62663674

IUPAC1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCCNC2CC2)c1
InChIInChI=1S/C13H19N3O/c1-10-3-2-4-12(9-10)16-13(17)15-8-7-14-11-5-6-11/h2-4,9,11,14H,5-8H2,1H3,(H2,15,16,17)
InChIKeyURWVESCXONGYQX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds5

About 1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea

1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea (PubChem CID 62663674) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
PubChem CID62663674
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCCNC2CC2)c1
InChIInChI=1S/C13H19N3O/c1-10-3-2-4-12(9-10)16-13(17)15-8-7-14-11-5-6-11/h2-4,9,11,14H,5-8H2,1H3,(H2,15,16,17)
InChIKeyURWVESCXONGYQX-UHFFFAOYSA-N
XLogP1.87
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180
1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea
CID 107654056
1-(2-butoxyethyl)-3-(3-methylphenyl)urea
CID 141077224
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
CID 95634979
1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61132641
1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea
CID 41256618
1-(3-methylphenyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]urea
CID 47848806
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
CID 108888015
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea (CID 62663674) is 1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCCNC2CC2)c1.
What is the InChIKey of 1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea?
The InChIKey is URWVESCXONGYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-3-2-4-12(9-10)16-13(17)15-8-7-14-11-5-6-11/h2-4,9,11,14H,5-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea?
1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea has a molecular weight of 233.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 62663674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).