1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea

C20H25FN2O2 — CID 30273311

IUPAC1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O2/c1-13-6-11-19(25-5)18(12-13)14(2)22-20(24)23(4)15(3)16-7-9-17(21)10-8-16/h6-12,14-15H,1-5H3,(H,22,24)/t14-,15-/m1/s1
InChIKeyMJQNYRDLTXLKLQ-HUUCEWRRSA-N
MW344.43 g/mol
LogP4.61
Rot. Bonds5

About 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea (PubChem CID 30273311) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea
PubChem CID30273311
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O2/c1-13-6-11-19(25-5)18(12-13)14(2)22-20(24)23(4)15(3)16-7-9-17(21)10-8-16/h6-12,14-15H,1-5H3,(H,22,24)/t14-,15-/m1/s1
InChIKeyMJQNYRDLTXLKLQ-HUUCEWRRSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea with MolForge

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Related Compounds

3-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-1-[(1S)-1-(3-nitrophenyl)ethyl]urea
CID 51935266
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea
CID 75387824
2-(2-bromo-4-fluorophenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262782
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
2-(3-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9264320
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide
CID 47010076

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea (CID 30273311) is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea is COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea?
The InChIKey is MJQNYRDLTXLKLQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-13-6-11-19(25-5)18(12-13)14(2)22-20(24)23(4)15(3)16-7-9-17(21)10-8-16/h6-12,14-15H,1-5H3,(H,22,24)/t14-,15-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea?
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea has a molecular weight of 344.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 30273311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).