1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea

C18H25N3O2S — CID 86870868

IUPAC1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2ccccc2OCCN(C)C)s1
InChIInChI=1S/C18H25N3O2S/c1-14-8-9-16(24-14)13-20-18(22)19-12-15-6-4-5-7-17(15)23-11-10-21(2)3/h4-9H,10-13H2,1-3H3,(H2,19,20,22)
InChIKeyGAKAOWOMTRHPOO-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.00
Rot. Bonds8

About 1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea

1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea (PubChem CID 86870868) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
PubChem CID86870868
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2ccccc2OCCN(C)C)s1
InChIInChI=1S/C18H25N3O2S/c1-14-8-9-16(24-14)13-20-18(22)19-12-15-6-4-5-7-17(15)23-11-10-21(2)3/h4-9H,10-13H2,1-3H3,(H2,19,20,22)
InChIKeyGAKAOWOMTRHPOO-UHFFFAOYSA-N
XLogP3.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea with MolForge

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Related Compounds

1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111897685
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111897684
2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669936
1-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119864986
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide
CID 56823330
2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799114
N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 60776676
2-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111899129
(2S,5R)-5-(aminomethyl)-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]oxolane-2-carboxamide
CID 120799112
1-[(5-methylthiophen-2-yl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 55793336
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylaniline
CID 3063866

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea (CID 86870868) is 1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea is Cc1ccc(CNC(=O)NCc2ccccc2OCCN(C)C)s1.
What is the InChIKey of 1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
The InChIKey is GAKAOWOMTRHPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-14-8-9-16(24-14)13-20-18(22)19-12-15-6-4-5-7-17(15)23-11-10-21(2)3/h4-9H,10-13H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea has a molecular weight of 347.48 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 86870868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).