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

C18H23N3O3 — CID 108890825

IUPAC1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
SMILESCCOc1ccc(OCNC(=O)Nc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H23N3O3/c1-4-23-16-8-10-17(11-9-16)24-13-19-18(22)20-14-6-5-7-15(12-14)21(2)3/h5-12H,4,13H2,1-3H3,(H2,19,20,22)
InChIKeyUXLUOFUPVXHGES-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.31
Rot. Bonds7

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

1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea (PubChem CID 108890825) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
PubChem CID108890825
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
SMILESCCOc1ccc(OCNC(=O)Nc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H23N3O3/c1-4-23-16-8-10-17(11-9-16)24-13-19-18(22)20-14-6-5-7-15(12-14)21(2)3/h5-12H,4,13H2,1-3H3,(H2,19,20,22)
InChIKeyUXLUOFUPVXHGES-UHFFFAOYSA-N
XLogP3.31
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890846
1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890615
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866355
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892159
1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879448
1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
CID 27871438
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386
1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea
CID 108885167
1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973082
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
3-[[3-(dimethylamino)phenyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428993

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea (CID 108890825) is 1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea is CCOc1ccc(OCNC(=O)Nc2cccc(N(C)C)c2)cc1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea?
The InChIKey is UXLUOFUPVXHGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-23-16-8-10-17(11-9-16)24-13-19-18(22)20-14-6-5-7-15(12-14)21(2)3/h5-12H,4,13H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea?
1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea has a molecular weight of 329.40 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea is sourced from PubChem (CID 108890825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).