1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea

C20H35N3O2 — CID 18922856

IUPAC1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea
SMILESCC(C)CCC(NC(=O)NC(C)(C)C)C(O)C(N)Cc1ccccc1
InChIInChI=1S/C20H35N3O2/c1-14(2)11-12-17(22-19(25)23-20(3,4)5)18(24)16(21)13-15-9-7-6-8-10-15/h6-10,14,16-18,24H,11-13,21H2,1-5H3,(H2,22,23,25)
InChIKeyWIFQIBFTOOOLMF-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.82
Rot. Bonds8

About 1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea

1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea (PubChem CID 18922856) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea.

Molecular Properties

Compound Name1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea
PubChem CID18922856
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea
SMILESCC(C)CCC(NC(=O)NC(C)(C)C)C(O)C(N)Cc1ccccc1
InChIInChI=1S/C20H35N3O2/c1-14(2)11-12-17(22-19(25)23-20(3,4)5)18(24)16(21)13-15-9-7-6-8-10-15/h6-10,14,16-18,24H,11-13,21H2,1-5H3,(H2,22,23,25)
InChIKeyWIFQIBFTOOOLMF-UHFFFAOYSA-N
XLogP2.82
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea 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-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea?
The IUPAC name of 1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea (CID 18922856) is 1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea.
What is the SMILES notation for 1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea?
The canonical SMILES for 1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea is CC(C)CCC(NC(=O)NC(C)(C)C)C(O)C(N)Cc1ccccc1.
What is the InChIKey of 1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea?
The InChIKey is WIFQIBFTOOOLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-14(2)11-12-17(22-19(25)23-20(3,4)5)18(24)16(21)13-15-9-7-6-8-10-15/h6-10,14,16-18,24H,11-13,21H2,1-5H3,(H2,22,23,25).
What are the key properties of 1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea?
1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea has a molecular weight of 349.52 g/mol, XLogP of 2.82, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-hydroxy-7-methyl-1-phenyloctan-4-yl)-3-tert-butylurea is sourced from PubChem (CID 18922856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).