3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea

C16H27N3O2 — CID 119064153

IUPAC3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea
SMILESCOCCN(Cc1ccc(C)cc1)C(=O)NCCN(C)C
InChIInChI=1S/C16H27N3O2/c1-14-5-7-15(8-6-14)13-19(11-12-21-4)16(20)17-9-10-18(2)3/h5-8H,9-13H2,1-4H3,(H,17,20)
InChIKeyTVXGACNPOYVBCC-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.71
Rot. Bonds8

About 3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea

3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea (PubChem CID 119064153) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea
PubChem CID119064153
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea
SMILESCOCCN(Cc1ccc(C)cc1)C(=O)NCCN(C)C
InChIInChI=1S/C16H27N3O2/c1-14-5-7-15(8-6-14)13-19(11-12-21-4)16(20)17-9-10-18(2)3/h5-8H,9-13H2,1-4H3,(H,17,20)
InChIKeyTVXGACNPOYVBCC-UHFFFAOYSA-N
XLogP1.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea (CID 119064153) is 3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea is COCCN(Cc1ccc(C)cc1)C(=O)NCCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea?
The InChIKey is TVXGACNPOYVBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-14-5-7-15(8-6-14)13-19(11-12-21-4)16(20)17-9-10-18(2)3/h5-8H,9-13H2,1-4H3,(H,17,20).
What are the key properties of 3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea?
3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea has a molecular weight of 293.41 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 119064153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).