3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea

C19H30FN3O — CID 55912931

IUPAC3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea
SMILESCN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCC1CCCC1
InChIInChI=1S/C19H30FN3O/c1-22(2)13-14-23(15-17-7-9-18(20)10-8-17)19(24)21-12-11-16-5-3-4-6-16/h7-10,16H,3-6,11-15H2,1-2H3,(H,21,24)
InChIKeyRDQKFSJNKWAQGN-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.48
Rot. Bonds8

About 3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea

3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea (PubChem CID 55912931) has the molecular formula C19H30FN3O and a molecular weight of 335.47 g/mol. Its IUPAC name is 3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea
PubChem CID55912931
Molecular FormulaC19H30FN3O
Molecular Weight335.47 g/mol
Exact Mass335.24
IUPAC Name3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea
SMILESCN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCC1CCCC1
InChIInChI=1S/C19H30FN3O/c1-22(2)13-14-23(15-17-7-9-18(20)10-8-17)19(24)21-12-11-16-5-3-4-6-16/h7-10,16H,3-6,11-15H2,1-2H3,(H,21,24)
InChIKeyRDQKFSJNKWAQGN-UHFFFAOYSA-N
XLogP3.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-[4-(4-ethylpiperazin-1-yl)butyl]-1-[(4-fluorophenyl)methyl]urea
CID 55912295
1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea
CID 126442561
cis-(1R,3S)-3-amino-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 124885891
1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]-3-(3-indol-1-ylpropyl)urea
CID 52710608
1-[2-(dimethylamino)ethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-[(4-fluorophenyl)methyl]urea
CID 55912033
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705142
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine
CID 111752418
ethyl 3-[[2-(2-cyclohexylethoxy)-2-oxoethyl]-[(4-fluorophenyl)methyl]amino]-3-oxopropanoate
CID 68699000
methyl 4-[[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzoate
CID 69299765
1-[(4-bromophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-[3-(4-hydroxyphenyl)propyl]urea
CID 86973334
3-(2-cyclobutylethyl)-1,1-dimethylurea
CID 115687259

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea (CID 55912931) is 3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea is CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCC1CCCC1.
What is the InChIKey of 3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea?
The InChIKey is RDQKFSJNKWAQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O/c1-22(2)13-14-23(15-17-7-9-18(20)10-8-17)19(24)21-12-11-16-5-3-4-6-16/h7-10,16H,3-6,11-15H2,1-2H3,(H,21,24).
What are the key properties of 3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea?
3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea has a molecular weight of 335.47 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 55912931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).