1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea

C19H26N4O2 — CID 72892352

IUPAC1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea
SMILESCCN(CCN(C)C)C(=O)Nc1ccccc1OCc1ccccn1
InChIInChI=1S/C19H26N4O2/c1-4-23(14-13-22(2)3)19(24)21-17-10-5-6-11-18(17)25-15-16-9-7-8-12-20-16/h5-12H,4,13-15H2,1-3H3,(H,21,24)
InChIKeyFTUPIQPQPHUYSB-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.08
Rot. Bonds8

About 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea

1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea (PubChem CID 72892352) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea
PubChem CID72892352
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea
SMILESCCN(CCN(C)C)C(=O)Nc1ccccc1OCc1ccccn1
InChIInChI=1S/C19H26N4O2/c1-4-23(14-13-22(2)3)19(24)21-17-10-5-6-11-18(17)25-15-16-9-7-8-12-20-16/h5-12H,4,13-15H2,1-3H3,(H,21,24)
InChIKeyFTUPIQPQPHUYSB-UHFFFAOYSA-N
XLogP3.08
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea (CID 72892352) is 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea is CCN(CCN(C)C)C(=O)Nc1ccccc1OCc1ccccn1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea?
The InChIKey is FTUPIQPQPHUYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-23(14-13-22(2)3)19(24)21-17-10-5-6-11-18(17)25-15-16-9-7-8-12-20-16/h5-12H,4,13-15H2,1-3H3,(H,21,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea?
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea is sourced from PubChem (CID 72892352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).