1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea

C18H23N3O2 — CID 4070233

IUPAC1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea
SMILESCOCCCN(C(=O)Nc1ccccc1)C(C)c1ccncc1
InChIInChI=1S/C18H23N3O2/c1-15(16-9-11-19-12-10-16)21(13-6-14-23-2)18(22)20-17-7-4-3-5-8-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,20,22)
InChIKeyCZUUYFAMLQMEEX-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.71
Rot. Bonds7

About 1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea

1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea (PubChem CID 4070233) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea
PubChem CID4070233
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea
SMILESCOCCCN(C(=O)Nc1ccccc1)C(C)c1ccncc1
InChIInChI=1S/C18H23N3O2/c1-15(16-9-11-19-12-10-16)21(13-6-14-23-2)18(22)20-17-7-4-3-5-8-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,20,22)
InChIKeyCZUUYFAMLQMEEX-UHFFFAOYSA-N
XLogP3.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
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-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea (CID 4070233) is 1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea is COCCCN(C(=O)Nc1ccccc1)C(C)c1ccncc1.
What is the InChIKey of 1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea?
The InChIKey is CZUUYFAMLQMEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-15(16-9-11-19-12-10-16)21(13-6-14-23-2)18(22)20-17-7-4-3-5-8-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,20,22).
What are the key properties of 1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea?
1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea has a molecular weight of 313.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 4070233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).