1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea

C17H25N3O — CID 138021590

IUPAC1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
SMILESCC(C)(CNC(=O)Nc1cccc2c1CCNC2)C1CC1
InChIInChI=1S/C17H25N3O/c1-17(2,13-6-7-13)11-19-16(21)20-15-5-3-4-12-10-18-9-8-14(12)15/h3-5,13,18H,6-11H2,1-2H3,(H2,19,20,21)
InChIKeyKAOQQGJMUXGWAO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.89
Rot. Bonds4

About 1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea

1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea (PubChem CID 138021590) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
PubChem CID138021590
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
SMILESCC(C)(CNC(=O)Nc1cccc2c1CCNC2)C1CC1
InChIInChI=1S/C17H25N3O/c1-17(2,13-6-7-13)11-19-16(21)20-15-5-3-4-12-10-18-9-8-14(12)15/h3-5,13,18H,6-11H2,1-2H3,(H2,19,20,21)
InChIKeyKAOQQGJMUXGWAO-UHFFFAOYSA-N
XLogP2.89
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 43808408
1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CID 43808490
2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
CID 80554406
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopentane-1-carboxamide
CID 107176797
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
(2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide
CID 103806790
(2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide
CID 104856418
2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 80547709
1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CID 166363565
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 80554367
1-(2-cyclopropyl-2-methylpropyl)-3-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)urea;2,2,2-trifluoroacetic acid
CID 136576182
1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide
CID 80554412

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea?
The IUPAC name of 1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea (CID 138021590) is 1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea?
The canonical SMILES for 1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea is CC(C)(CNC(=O)Nc1cccc2c1CCNC2)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea?
The InChIKey is KAOQQGJMUXGWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2,13-6-7-13)11-19-16(21)20-15-5-3-4-12-10-18-9-8-14(12)15/h3-5,13,18H,6-11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea?
1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea has a molecular weight of 287.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea is sourced from PubChem (CID 138021590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).