1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

C15H22N2O — CID 5016526

IUPAC1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCC(C)(C)NC(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C15H22N2O/c1-15(2,3)17-14(18)16-13-10-6-8-11-7-4-5-9-12(11)13/h6,8,10H,4-5,7,9H2,1-3H3,(H2,16,17,18)
InChIKeyDCUOJEMYMLOEOE-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.49
Rot. Bonds1

About 1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 5016526) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID5016526
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCC(C)(C)NC(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C15H22N2O/c1-15(2,3)17-14(18)16-13-10-6-8-11-7-4-5-9-12(11)13/h6,8,10H,4-5,7,9H2,1-3H3,(H2,16,17,18)
InChIKeyDCUOJEMYMLOEOE-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-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

Related Compounds

N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide
CID 51248619
N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 26509429
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 61147977
3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)butanoic acid
CID 116536577
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 54991255
1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 43468950
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 61180890
1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47133281
1-tert-butyl-3-[3-(tert-butylcarbamoylamino)-2-methylphenyl]urea
CID 58918478
methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
CID 90481970

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 5016526) is 1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is CC(C)(C)NC(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of 1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is DCUOJEMYMLOEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)17-14(18)16-13-10-6-8-11-7-4-5-9-12(11)13/h6,8,10H,4-5,7,9H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 246.35 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 5016526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).