1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea

C23H30FN3O3 — CID 51963095

IUPAC1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea
SMILESCC[C@](C)(CNC(=O)Nc1cccc(OCc2cccc(F)c2)c1)N1CCOCC1
InChIInChI=1S/C23H30FN3O3/c1-3-23(2,27-10-12-29-13-11-27)17-25-22(28)26-20-8-5-9-21(15-20)30-16-18-6-4-7-19(24)14-18/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H2,25,26,28)/t23-/m1/s1
InChIKeyULHWAPNXVJLJKK-HSZRJFAPSA-N
MW415.51 g/mol
LogP4.03
Rot. Bonds8

About 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea

1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea (PubChem CID 51963095) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea.

Molecular Properties

Compound Name1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea
PubChem CID51963095
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC Name1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea
SMILESCC[C@](C)(CNC(=O)Nc1cccc(OCc2cccc(F)c2)c1)N1CCOCC1
InChIInChI=1S/C23H30FN3O3/c1-3-23(2,27-10-12-29-13-11-27)17-25-22(28)26-20-8-5-9-21(15-20)30-16-18-6-4-7-19(24)14-18/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H2,25,26,28)/t23-/m1/s1
InChIKeyULHWAPNXVJLJKK-HSZRJFAPSA-N
XLogP4.03
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea with MolForge

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Related Compounds

1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
CID 52522393
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473952
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[3-[(3-fluorophenyl)methoxy]phenyl]urea
CID 55834035
2-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-methylpentanamide;hydrochloride
CID 119739977
N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55890536
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea
CID 47033937
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624422
1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 62734848
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[3-[(4-fluorophenyl)methoxy]phenyl]urea
CID 56520326
(2R,3S)-N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-methylmorpholine-3-carboxamide
CID 120926492
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea?
The IUPAC name of 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea (CID 51963095) is 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea.
What is the SMILES notation for 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea?
The canonical SMILES for 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea is CC[C@](C)(CNC(=O)Nc1cccc(OCc2cccc(F)c2)c1)N1CCOCC1.
What is the InChIKey of 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea?
The InChIKey is ULHWAPNXVJLJKK-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H30FN3O3/c1-3-23(2,27-10-12-29-13-11-27)17-25-22(28)26-20-8-5-9-21(15-20)30-16-18-6-4-7-19(24)14-18/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H2,25,26,28)/t23-/m1/s1.
What are the key properties of 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea?
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea has a molecular weight of 415.51 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea is sourced from PubChem (CID 51963095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).