1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea

C17H24ClN3O3 — CID 55696727

IUPAC1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)Nc1ccccc1Cl
InChIInChI=1S/C17H24ClN3O3/c18-14-3-1-2-4-15(14)20-17(22)19-11-16(13-5-8-24-12-13)21-6-9-23-10-7-21/h1-4,13,16H,5-12H2,(H2,19,20,22)
InChIKeyGJNAUGGGXQWWKT-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.20
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea

1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea (PubChem CID 55696727) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
PubChem CID55696727
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)Nc1ccccc1Cl
InChIInChI=1S/C17H24ClN3O3/c18-14-3-1-2-4-15(14)20-17(22)19-11-16(13-5-8-24-12-13)21-6-9-23-10-7-21/h1-4,13,16H,5-12H2,(H2,19,20,22)
InChIKeyGJNAUGGGXQWWKT-UHFFFAOYSA-N
XLogP2.20
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
CID 52500829
1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 51945979
1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
CID 124840254
1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea
CID 94030463
1-[4-(2-chlorophenoxy)phenyl]-3-[2-(oxolan-3-yl)-2-pyrrolidin-1-ylethyl]urea
CID 47049754
1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590697
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-[2-(2-nitroanilino)ethyl]urea
CID 55590017
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 42942600
1-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]urea
CID 94031834
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea
CID 55590618
3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 78858830

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea (CID 55696727) is 1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea is O=C(NCC(C1CCOC1)N1CCOCC1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The InChIKey is GJNAUGGGXQWWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c18-14-3-1-2-4-15(14)20-17(22)19-11-16(13-5-8-24-12-13)21-6-9-23-10-7-21/h1-4,13,16H,5-12H2,(H2,19,20,22).
What are the key properties of 1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea has a molecular weight of 353.85 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea is sourced from PubChem (CID 55696727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).