1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea

C18H25N3O2 — CID 78871672

IUPAC1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea
SMILESCOCCN(C)CCCNC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H25N3O2/c1-21(12-13-23-2)11-5-10-19-18(22)20-17-9-8-15-6-3-4-7-16(15)14-17/h3-4,6-9,14H,5,10-13H2,1-2H3,(H2,19,20,22)
InChIKeyHUWAAQCBDCMUEV-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.93
Rot. Bonds8

About 1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea

1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea (PubChem CID 78871672) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea
PubChem CID78871672
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea
SMILESCOCCN(C)CCCNC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H25N3O2/c1-21(12-13-23-2)11-5-10-19-18(22)20-17-9-8-15-6-3-4-7-16(15)14-17/h3-4,6-9,14H,5,10-13H2,1-2H3,(H2,19,20,22)
InChIKeyHUWAAQCBDCMUEV-UHFFFAOYSA-N
XLogP2.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea (CID 78871672) is 1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea is COCCN(C)CCCNC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea?
The InChIKey is HUWAAQCBDCMUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-21(12-13-23-2)11-5-10-19-18(22)20-17-9-8-15-6-3-4-7-16(15)14-17/h3-4,6-9,14H,5,10-13H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea?
1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea has a molecular weight of 315.42 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 78871672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).