1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea

C17H22N2O2 — CID 3110730

IUPAC1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea
SMILESCC(C)OCCCNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-13(2)21-12-6-11-18-17(20)19-16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,13H,6,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyLHUSGEIMVDJCCX-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.78
Rot. Bonds6

About 1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea

1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea (PubChem CID 3110730) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea
PubChem CID3110730
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea
SMILESCC(C)OCCCNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-13(2)21-12-6-11-18-17(20)19-16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,13H,6,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyLHUSGEIMVDJCCX-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)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

CID 668231
CID 668231
CID 99645
CID 99645
CID 81387
CID 81387
CID 295006
CID 295006
CID 379219
CID 379219
CID 239525
CID 239525
CID 830951
CID 830951
CID 4196307
CID 4196307
CID 5129202
CID 5129202
CID 24768230
CID 24768230
CID 24819105
CID 24819105
CID 282484
CID 282484

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea (CID 3110730) is 1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea is CC(C)OCCCNC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea?
The InChIKey is LHUSGEIMVDJCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(2)21-12-6-11-18-17(20)19-16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,13H,6,11-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea?
1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea has a molecular weight of 286.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(3-propan-2-yloxypropyl)urea is sourced from PubChem (CID 3110730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).