1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea

C15H23N3O — CID 165486529

IUPAC1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea
SMILESCC(C)C(C)NC(=O)Nc1cccc2c1CCC2N
InChIInChI=1S/C15H23N3O/c1-9(2)10(3)17-15(19)18-14-6-4-5-11-12(14)7-8-13(11)16/h4-6,9-10,13H,7-8,16H2,1-3H3,(H2,17,18,19)
InChIKeyZWHJMCJEHRPLOF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.80
Rot. Bonds3

About 1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea

1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea (PubChem CID 165486529) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea
PubChem CID165486529
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea
SMILESCC(C)C(C)NC(=O)Nc1cccc2c1CCC2N
InChIInChI=1S/C15H23N3O/c1-9(2)10(3)17-15(19)18-14-6-4-5-11-12(14)7-8-13(11)16/h4-6,9-10,13H,7-8,16H2,1-3H3,(H2,17,18,19)
InChIKeyZWHJMCJEHRPLOF-UHFFFAOYSA-N
XLogP2.80
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea?
The IUPAC name of 1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea (CID 165486529) is 1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea?
The canonical SMILES for 1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea is CC(C)C(C)NC(=O)Nc1cccc2c1CCC2N.
What is the InChIKey of 1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea?
The InChIKey is ZWHJMCJEHRPLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9(2)10(3)17-15(19)18-14-6-4-5-11-12(14)7-8-13(11)16/h4-6,9-10,13H,7-8,16H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea?
1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea has a molecular weight of 261.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2,3-dihydro-1H-inden-4-yl)-3-(3-methylbutan-2-yl)urea is sourced from PubChem (CID 165486529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).