1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea

C20H24F2N2O3 — CID 86943111

IUPAC1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCOc1cccc(CC(C)NC(=O)NC(C)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C20H24F2N2O3/c1-13(11-15-5-4-6-18(12-15)26-3)23-20(25)24-14(2)16-7-9-17(10-8-16)27-19(21)22/h4-10,12-14,19H,11H2,1-3H3,(H2,23,24,25)
InChIKeyMUKNWVJTFZMDEC-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.29
Rot. Bonds8

About 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea

1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea (PubChem CID 86943111) has the molecular formula C20H24F2N2O3 and a molecular weight of 378.42 g/mol. Its IUPAC name is 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
PubChem CID86943111
Molecular FormulaC20H24F2N2O3
Molecular Weight378.42 g/mol
Exact Mass378.18
IUPAC Name1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCOc1cccc(CC(C)NC(=O)NC(C)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C20H24F2N2O3/c1-13(11-15-5-4-6-18(12-15)26-3)23-20(25)24-14(2)16-7-9-17(10-8-16)27-19(21)22/h4-10,12-14,19H,11H2,1-3H3,(H2,23,24,25)
InChIKeyMUKNWVJTFZMDEC-UHFFFAOYSA-N
XLogP4.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea with MolForge

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Related Compounds

1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943088
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943132
1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene
CID 63017955
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943269
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea
CID 87010141
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130
1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943626
2-(3-methoxyphenyl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 42997257
1-[(1S)-1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517850
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
CID 86943125

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea (CID 86943111) is 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea is COc1cccc(CC(C)NC(=O)NC(C)c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The InChIKey is MUKNWVJTFZMDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3/c1-13(11-15-5-4-6-18(12-15)26-3)23-20(25)24-14(2)16-7-9-17(10-8-16)27-19(21)22/h4-10,12-14,19H,11H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea has a molecular weight of 378.42 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 86943111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).