1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea

C19H23N3O — CID 753418

IUPAC1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCc2cccnc2)c1
InChIInChI=1S/C19H23N3O/c1-14(2)16-8-5-9-17(11-16)19(3,4)22-18(23)21-13-15-7-6-10-20-12-15/h5-12H,1,13H2,2-4H3,(H2,21,22,23)
InChIKeyPHXCJYSUWYBNBK-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.85
Rot. Bonds5

About 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea

1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 753418) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea
PubChem CID753418
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCc2cccnc2)c1
InChIInChI=1S/C19H23N3O/c1-14(2)16-8-5-9-17(11-16)19(3,4)22-18(23)21-13-15-7-6-10-20-12-15/h5-12H,1,13H2,2-4H3,(H2,21,22,23)
InChIKeyPHXCJYSUWYBNBK-UHFFFAOYSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea (CID 753418) is 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea is C=C(C)c1cccc(C(C)(C)NC(=O)NCc2cccnc2)c1.
What is the InChIKey of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is PHXCJYSUWYBNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14(2)16-8-5-9-17(11-16)19(3,4)22-18(23)21-13-15-7-6-10-20-12-15/h5-12H,1,13H2,2-4H3,(H2,21,22,23).
What are the key properties of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea?
1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 309.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 753418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).