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

C17H26ClN3O2 — CID 51274319

IUPAC1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
SMILESCC(NC(=O)NCC(C)(C)N1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN3O2/c1-13(14-5-4-6-15(18)11-14)20-16(22)19-12-17(2,3)21-7-9-23-10-8-21/h4-6,11,13H,7-10,12H2,1-3H3,(H2,19,20,22)
InChIKeyGYTSZIPICLMWFK-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.81
Rot. Bonds5

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

1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea (PubChem CID 51274319) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
PubChem CID51274319
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
SMILESCC(NC(=O)NCC(C)(C)N1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN3O2/c1-13(14-5-4-6-15(18)11-14)20-16(22)19-12-17(2,3)21-7-9-23-10-8-21/h4-6,11,13H,7-10,12H2,1-3H3,(H2,19,20,22)
InChIKeyGYTSZIPICLMWFK-UHFFFAOYSA-N
XLogP2.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-3-(2,2-dimethylpropyl)urea
CID 112839734
1-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 94039006
1-[1-(3-chlorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134201
1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936464
1-[2-(3-chlorophenyl)-2-methoxyethyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111500901
3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713477
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 81370303
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
1-benzyl-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 27533669
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 115295227
1-[1-(3-chlorophenyl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437923

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea (CID 51274319) is 1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea is CC(NC(=O)NCC(C)(C)N1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The InChIKey is GYTSZIPICLMWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-13(14-5-4-6-15(18)11-14)20-16(22)19-12-17(2,3)21-7-9-23-10-8-21/h4-6,11,13H,7-10,12H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea has a molecular weight of 339.87 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 51274319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).