1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea

C19H25N3O2 — CID 71625480

IUPAC1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(OCCN(C)C)cc2)c1C
InChIInChI=1S/C19H25N3O2/c1-14-6-5-7-18(15(14)2)21-19(23)20-16-8-10-17(11-9-16)24-13-12-22(3)4/h5-11H,12-13H2,1-4H3,(H2,20,21,23)
InChIKeyJLSQQKNFINHLHC-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.89
Rot. Bonds6

About 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea

1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea (PubChem CID 71625480) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea
PubChem CID71625480
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(OCCN(C)C)cc2)c1C
InChIInChI=1S/C19H25N3O2/c1-14-6-5-7-18(15(14)2)21-19(23)20-16-8-10-17(11-9-16)24-13-12-22(3)4/h5-11H,12-13H2,1-4H3,(H2,20,21,23)
InChIKeyJLSQQKNFINHLHC-UHFFFAOYSA-N
XLogP3.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxyphenyl)-3-naphthalen-1-ylurea
CID 768067
1-(4-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25014697
1-(4-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014776
N-(2-methoxyphenyl)-N'-(2-phenylethyl)urea
CID 853786
N-[3-(4-benzylpiperidin-1-yl)propyl]-N'-(4-methoxyphenyl)urea
CID 16193711
Urea, N-methoxy-N-methyl-N'-(4-(2-(4-methylphenyl)ethoxy)phenyl)-
CID 93385
1-(P-Anisyl)-3-benzylurea
CID 2822852
1,1-Dibenzyl-3-(2-methoxyphenyl)urea
CID 3595656
3-(P-Anisyl)-1,1-dibenzylurea
CID 3717527
1,1-Dibenzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4167053
N-[4-(benzyloxy)phenyl]-4-(dimethylamino)butanamide
CID 24901610
1-[2-(4-Fluoro-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 10915843

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea?
The IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea (CID 71625480) is 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(OCCN(C)C)cc2)c1C.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea?
The InChIKey is JLSQQKNFINHLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-6-5-7-18(15(14)2)21-19(23)20-16-8-10-17(11-9-16)24-13-12-22(3)4/h5-11H,12-13H2,1-4H3,(H2,20,21,23).
What are the key properties of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea?
1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea has a molecular weight of 327.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea is sourced from PubChem (CID 71625480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).