1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea

C18H28FN3O2 — CID 51296603

IUPAC1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea
SMILESCC(c1ccc(F)cc1)N(C)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C18H28FN3O2/c1-14(15-5-7-16(19)8-6-15)21(4)17(23)20-13-18(2,3)22-9-11-24-12-10-22/h5-8,14H,9-13H2,1-4H3,(H,20,23)
InChIKeyQCODLPKQUQAWIB-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.64
Rot. Bonds5

About 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea

1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea (PubChem CID 51296603) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea
PubChem CID51296603
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea
SMILESCC(c1ccc(F)cc1)N(C)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C18H28FN3O2/c1-14(15-5-7-16(19)8-6-15)21(4)17(23)20-13-18(2,3)22-9-11-24-12-10-22/h5-8,14H,9-13H2,1-4H3,(H,20,23)
InChIKeyQCODLPKQUQAWIB-UHFFFAOYSA-N
XLogP2.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
CID 110312935
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976
1-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314474
5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide
CID 46555928
1-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 94039006
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384
4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 115294203
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
1-(4-fluorophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 9452268
2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 136526531
N-(2-methyl-2-morpholin-4-ylpropyl)-2-phenylpentanamide
CID 47005479
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea (CID 51296603) is 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea is CC(c1ccc(F)cc1)N(C)C(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The InChIKey is QCODLPKQUQAWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-14(15-5-7-16(19)8-6-15)21(4)17(23)20-13-18(2,3)22-9-11-24-12-10-22/h5-8,14H,9-13H2,1-4H3,(H,20,23).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea has a molecular weight of 337.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 51296603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).