1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea

C20H24F2N2O3 — CID 55912713

IUPAC1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)Oc1ccccc1CNC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H24F2N2O3/c1-14(2)26-18-6-4-3-5-16(18)13-24-20(25)23-12-11-15-7-9-17(10-8-15)27-19(21)22/h3-10,14,19H,11-13H2,1-2H3,(H2,23,24,25)
InChIKeyWSGMYVCRAIWFNH-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.12
Rot. Bonds9

About 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea

1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea (PubChem CID 55912713) has the molecular formula C20H24F2N2O3 and a molecular weight of 378.42 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
PubChem CID55912713
Molecular FormulaC20H24F2N2O3
Molecular Weight378.42 g/mol
Exact Mass378.18
IUPAC Name1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)Oc1ccccc1CNC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H24F2N2O3/c1-14(2)26-18-6-4-3-5-16(18)13-24-20(25)23-12-11-15-7-9-17(10-8-15)27-19(21)22/h3-10,14,19H,11-13H2,1-2H3,(H2,23,24,25)
InChIKeyWSGMYVCRAIWFNH-UHFFFAOYSA-N
XLogP4.12
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
4-[[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 55740403
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 61260815
N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide
CID 51129432
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202218
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488
N-[(4-fluorophenyl)methyl]-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 124505025
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide
CID 104684782
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111229285
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 33158981
N-[4-[2-[[N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide
CID 111865032

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea (CID 55912713) is 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea is CC(C)Oc1ccccc1CNC(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is WSGMYVCRAIWFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3/c1-14(2)26-18-6-4-3-5-16(18)13-24-20(25)23-12-11-15-7-9-17(10-8-15)27-19(21)22/h3-10,14,19H,11-13H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 378.42 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 55912713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).