3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea

C18H23N3O — CID 23767643

IUPAC3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
SMILESCCN(CCc1ccccn1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H23N3O/c1-4-21(10-8-16-7-5-6-9-19-16)18(22)20-17-12-14(2)11-15(3)13-17/h5-7,9,11-13H,4,8,10H2,1-3H3,(H,20,22)
InChIKeyJWBIXRBCWPEWIK-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.79
Rot. Bonds5

About 3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea

3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea (PubChem CID 23767643) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
PubChem CID23767643
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
SMILESCCN(CCc1ccccn1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H23N3O/c1-4-21(10-8-16-7-5-6-9-19-16)18(22)20-17-12-14(2)11-15(3)13-17/h5-7,9,11-13H,4,8,10H2,1-3H3,(H,20,22)
InChIKeyJWBIXRBCWPEWIK-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084600
3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23994401
1-[(4-tert-butylphenyl)methyl]-3-(3-methylphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42704672
3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084809
1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 23988043
1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea
CID 42703373
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
3-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-1-(2-pyridin-2-ylethyl)urea
CID 1057498
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 6734633
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151497
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea
CID 72892352
3-(4-chlorophenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(2-pyridin-2-ylethyl)urea
CID 42697640

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea (CID 23767643) is 3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea is CCN(CCc1ccccn1)C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is JWBIXRBCWPEWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-21(10-8-16-7-5-6-9-19-16)18(22)20-17-12-14(2)11-15(3)13-17/h5-7,9,11-13H,4,8,10H2,1-3H3,(H,20,22).
What are the key properties of 3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea?
3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 297.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 23767643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).