1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea

C18H23N3O2 — CID 108893373

IUPAC1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea
SMILESCCc1ccccc1OCNC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C18H23N3O2/c1-4-14-7-5-6-8-17(14)23-13-19-18(22)20-15-9-11-16(12-10-15)21(2)3/h5-12H,4,13H2,1-3H3,(H2,19,20,22)
InChIKeyKEIBMCCEPFLDJE-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.47
Rot. Bonds6

About 1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea

1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea (PubChem CID 108893373) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea
PubChem CID108893373
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea
SMILESCCc1ccccc1OCNC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C18H23N3O2/c1-4-14-7-5-6-8-17(14)23-13-19-18(22)20-15-9-11-16(12-10-15)21(2)3/h5-12H,4,13H2,1-3H3,(H2,19,20,22)
InChIKeyKEIBMCCEPFLDJE-UHFFFAOYSA-N
XLogP3.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317
1-[(2-ethylphenoxy)methyl]-3-(4-fluorophenyl)urea
CID 108893256
1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3552165
1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea
CID 108893435
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea
CID 108893308
1-(2,6-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893321
1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892216
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729
1-(4-chloro-3-nitrophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893257
1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893476
1-(2-chloroethyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893263

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea (CID 108893373) is 1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea is CCc1ccccc1OCNC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea?
The InChIKey is KEIBMCCEPFLDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-14-7-5-6-8-17(14)23-13-19-18(22)20-15-9-11-16(12-10-15)21(2)3/h5-12H,4,13H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea?
1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea has a molecular weight of 313.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea is sourced from PubChem (CID 108893373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).