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

C19H22F2N2O4 — CID 87010141

IUPAC1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea
SMILESCOCCOc1cccc(NC(=O)NC(C)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C19H22F2N2O4/c1-13(14-6-8-16(9-7-14)27-18(20)21)22-19(24)23-15-4-3-5-17(12-15)26-11-10-25-2/h3-9,12-13,18H,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyNVPYSQXTHCEDJY-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.20
Rot. Bonds9

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

1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea (PubChem CID 87010141) has the molecular formula C19H22F2N2O4 and a molecular weight of 380.39 g/mol. Its IUPAC name is 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea
PubChem CID87010141
Molecular FormulaC19H22F2N2O4
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC Name1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea
SMILESCOCCOc1cccc(NC(=O)NC(C)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C19H22F2N2O4/c1-13(14-6-8-16(9-7-14)27-18(20)21)22-19(24)23-15-4-3-5-17(12-15)26-11-10-25-2/h3-9,12-13,18H,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyNVPYSQXTHCEDJY-UHFFFAOYSA-N
XLogP4.20
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 47039459
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 60566958
1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 56795144
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943111
2-[3-(2-methoxyethoxy)anilino]-N-(1-phenylethyl)acetamide
CID 54829392
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 133204286
1-[(1S)-1-phenylethyl]-3-[3-[[2,4,6-triethyl-3,5-bis[[3-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]methyl]phenyl]methoxy]phenyl]urea
CID 102490935
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771
[3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate
CID 108865137
3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 54862322
N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline
CID 60935769

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea?
The IUPAC name of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea (CID 87010141) is 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea.
What is the SMILES notation for 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea?
The canonical SMILES for 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea is COCCOc1cccc(NC(=O)NC(C)c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea?
The InChIKey is NVPYSQXTHCEDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4/c1-13(14-6-8-16(9-7-14)27-18(20)21)22-19(24)23-15-4-3-5-17(12-15)26-11-10-25-2/h3-9,12-13,18H,10-11H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea?
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea has a molecular weight of 380.39 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea is sourced from PubChem (CID 87010141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).