1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea

C17H25FN2O2 — CID 60613955

IUPAC1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea
SMILESCC(CCC1CCCO1)NC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c1-13(5-10-16-4-3-11-22-16)19-17(21)20(2)12-14-6-8-15(18)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,19,21)
InChIKeyDXRWXZABHCQAST-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.31
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea

1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea (PubChem CID 60613955) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea
PubChem CID60613955
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea
SMILESCC(CCC1CCCO1)NC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c1-13(5-10-16-4-3-11-22-16)19-17(21)20(2)12-14-6-8-15(18)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,19,21)
InChIKeyDXRWXZABHCQAST-UHFFFAOYSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119683651
3-ethyl-1-[(4-fluorophenyl)methyl]-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine
CID 111307290
2-N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]furan-2,5-dicarboxamide
CID 97086861
1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea
CID 134006670
2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166335
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide
CID 86780191
1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 124615784
4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide
CID 135108533
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82848497
1-methyl-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-(pyridin-4-ylmethyl)urea
CID 95643433
N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide
CID 94800701

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea (CID 60613955) is 1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea is CC(CCC1CCCO1)NC(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea?
The InChIKey is DXRWXZABHCQAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-13(5-10-16-4-3-11-22-16)19-17(21)20(2)12-14-6-8-15(18)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,19,21).
What are the key properties of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea?
1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea has a molecular weight of 308.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea is sourced from PubChem (CID 60613955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).