1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea

C16H24F2N2O3 — CID 110910143

IUPAC1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)NC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H24F2N2O3/c1-4-16(22,5-2)10-19-15(21)20-11(3)12-6-8-13(9-7-12)23-14(17)18/h6-9,11,14,22H,4-5,10H2,1-3H3,(H2,19,20,21)
InChIKeyKRHWHPJDTAVJNM-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.20
Rot. Bonds8

About 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea

1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea (PubChem CID 110910143) has the molecular formula C16H24F2N2O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea
PubChem CID110910143
Molecular FormulaC16H24F2N2O3
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)NC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H24F2N2O3/c1-4-16(22,5-2)10-19-15(21)20-11(3)12-6-8-13(9-7-12)23-14(17)18/h6-9,11,14,22H,4-5,10H2,1-3H3,(H2,19,20,21)
InChIKeyKRHWHPJDTAVJNM-UHFFFAOYSA-N
XLogP3.20
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 110919120
2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 95054929
3-[[1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122090370
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 51291188
1-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 94651103
N-(2-amino-2-oxoethyl)-4-[[1-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]methyl]benzamide
CID 47066698
N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide
CID 52509877
N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide
CID 43103925
1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
CID 110894255
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide
CID 60504747
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]urea
CID 94650251
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 7948910

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea?
The IUPAC name of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea (CID 110910143) is 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea.
What is the SMILES notation for 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea?
The canonical SMILES for 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea is CCC(O)(CC)CNC(=O)NC(C)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea?
The InChIKey is KRHWHPJDTAVJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O3/c1-4-16(22,5-2)10-19-15(21)20-11(3)12-6-8-13(9-7-12)23-14(17)18/h6-9,11,14,22H,4-5,10H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea?
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea has a molecular weight of 330.38 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea is sourced from PubChem (CID 110910143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).