1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea

C15H22ClN3O2 — CID 42886916

IUPAC1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
SMILESCC1CN(CCNC(=O)Nc2cccc(Cl)c2)CC(C)O1
InChIInChI=1S/C15H22ClN3O2/c1-11-9-19(10-12(2)21-11)7-6-17-15(20)18-14-5-3-4-13(16)8-14/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H2,17,18,20)
InChIKeyVJFQBMGBSFBKME-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.57
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea

1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea (PubChem CID 42886916) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
PubChem CID42886916
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
SMILESCC1CN(CCNC(=O)Nc2cccc(Cl)c2)CC(C)O1
InChIInChI=1S/C15H22ClN3O2/c1-11-9-19(10-12(2)21-11)7-6-17-15(20)18-14-5-3-4-13(16)8-14/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H2,17,18,20)
InChIKeyVJFQBMGBSFBKME-UHFFFAOYSA-N
XLogP2.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea
CID 51944777
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
CID 51333998
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825463
(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 98938107
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea
CID 51334002
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94162627
1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea
CID 43063800
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-fluorophenyl)urea
CID 51334001
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea
CID 94054024
N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256
1-(3-chlorophenyl)-3-undecylurea
CID 4294975

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea (CID 42886916) is 1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea is CC1CN(CCNC(=O)Nc2cccc(Cl)c2)CC(C)O1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea?
The InChIKey is VJFQBMGBSFBKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-11-9-19(10-12(2)21-11)7-6-17-15(20)18-14-5-3-4-13(16)8-14/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea?
1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea has a molecular weight of 311.81 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea is sourced from PubChem (CID 42886916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).