1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea

C16H23F2N3O3 — CID 118782826

IUPAC1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESCc1cc(OC(F)F)ccc1NC(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H23F2N3O3/c1-12-11-13(24-15(17)18)3-4-14(12)20-16(22)19-5-2-6-21-7-9-23-10-8-21/h3-4,11,15H,2,5-10H2,1H3,(H2,19,20,22)
InChIKeyRCNYOXWBRIXVLD-UHFFFAOYSA-N
MW343.37 g/mol
LogP2.44
Rot. Bonds7

About 1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea

1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 118782826) has the molecular formula C16H23F2N3O3 and a molecular weight of 343.37 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea
PubChem CID118782826
Molecular FormulaC16H23F2N3O3
Molecular Weight343.37 g/mol
Exact Mass343.17
IUPAC Name1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESCc1cc(OC(F)F)ccc1NC(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H23F2N3O3/c1-12-11-13(24-15(17)18)3-4-14(12)20-16(22)19-5-2-6-21-7-9-23-10-8-21/h3-4,11,15H,2,5-10H2,1H3,(H2,19,20,22)
InChIKeyRCNYOXWBRIXVLD-UHFFFAOYSA-N
XLogP2.44
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 52.44
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-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(triazol-1-yl)propyl]urea
CID 72936586
2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide
CID 43916472
1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea
CID 2811707
1-[4-(difluoromethoxy)phenyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea
CID 72941301
N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518449
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
CID 51176280
1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 84586646
N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 55628607
3-methyl-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 62710111
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781822
2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 132651642

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea (CID 118782826) is 1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea is Cc1cc(OC(F)F)ccc1NC(=O)NCCCN1CCOCC1.
What is the InChIKey of 1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is RCNYOXWBRIXVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O3/c1-12-11-13(24-15(17)18)3-4-14(12)20-16(22)19-5-2-6-21-7-9-23-10-8-21/h3-4,11,15H,2,5-10H2,1H3,(H2,19,20,22).
What are the key properties of 1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea?
1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 343.37 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 118782826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).