3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea

C20H26FN3O2 — CID 86912656

IUPAC3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
SMILESCOc1ccc(C(CNC(=O)N(C)Cc2cccc(F)c2)N(C)C)cc1
InChIInChI=1S/C20H26FN3O2/c1-23(2)19(16-8-10-18(26-4)11-9-16)13-22-20(25)24(3)14-15-6-5-7-17(21)12-15/h5-12,19H,13-14H2,1-4H3,(H,22,25)
InChIKeyZDRPRQOSNZMSKG-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.28
Rot. Bonds7

About 3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea

3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea (PubChem CID 86912656) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
PubChem CID86912656
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
SMILESCOc1ccc(C(CNC(=O)N(C)Cc2cccc(F)c2)N(C)C)cc1
InChIInChI=1S/C20H26FN3O2/c1-23(2)19(16-8-10-18(26-4)11-9-16)13-22-20(25)24(3)14-15-6-5-7-17(21)12-15/h5-12,19H,13-14H2,1-4H3,(H,22,25)
InChIKeyZDRPRQOSNZMSKG-UHFFFAOYSA-N
XLogP3.28
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111876235
3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111271917
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43035256
3-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-1-methylurea
CID 94585461
N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 55523191
2-[[[(3-fluorophenyl)methyl-methylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111541834
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-propan-2-ylphenoxy)acetamide
CID 112778017
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide
CID 110302068
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea
CID 86916303

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea?
The IUPAC name of 3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea (CID 86912656) is 3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea is COc1ccc(C(CNC(=O)N(C)Cc2cccc(F)c2)N(C)C)cc1.
What is the InChIKey of 3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea?
The InChIKey is ZDRPRQOSNZMSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-23(2)19(16-8-10-18(26-4)11-9-16)13-22-20(25)24(3)14-15-6-5-7-17(21)12-15/h5-12,19H,13-14H2,1-4H3,(H,22,25).
What are the key properties of 3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea?
3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea has a molecular weight of 359.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea is sourced from PubChem (CID 86912656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).