1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea

C19H25N3O3 — CID 71940974

IUPAC1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea
SMILESCOCCn1cc(NC(=O)NC(C)CCc2ccccc2)ccc1=O
InChIInChI=1S/C19H25N3O3/c1-15(8-9-16-6-4-3-5-7-16)20-19(24)21-17-10-11-18(23)22(14-17)12-13-25-2/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H2,20,21,24)
InChIKeyHWSDMOODHXHDHW-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.64
Rot. Bonds8

About 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea

1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea (PubChem CID 71940974) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea
PubChem CID71940974
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea
SMILESCOCCn1cc(NC(=O)NC(C)CCc2ccccc2)ccc1=O
InChIInChI=1S/C19H25N3O3/c1-15(8-9-16-6-4-3-5-7-16)20-19(24)21-17-10-11-18(23)22(14-17)12-13-25-2/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H2,20,21,24)
InChIKeyHWSDMOODHXHDHW-UHFFFAOYSA-N
XLogP2.64
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea?
The IUPAC name of 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea (CID 71940974) is 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea is COCCn1cc(NC(=O)NC(C)CCc2ccccc2)ccc1=O.
What is the InChIKey of 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea?
The InChIKey is HWSDMOODHXHDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-15(8-9-16-6-4-3-5-7-16)20-19(24)21-17-10-11-18(23)22(14-17)12-13-25-2/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea?
1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea has a molecular weight of 343.43 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(4-phenylbutan-2-yl)urea is sourced from PubChem (CID 71940974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).