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

C17H27N3O2 — CID 51944777

IUPAC1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)NCCN2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C17H27N3O2/c1-4-15-6-5-7-16(10-15)19-17(21)18-8-9-20-11-13(2)22-14(3)12-20/h5-7,10,13-14H,4,8-9,11-12H2,1-3H3,(H2,18,19,21)/t13-,14-/m0/s1
InChIKeyUIFGJQBUHJIWBQ-KBPBESRZSA-N
MW305.42 g/mol
LogP2.48
Rot. Bonds5

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

1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea (PubChem CID 51944777) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea.

Molecular Properties

Compound Name1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea
PubChem CID51944777
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)NCCN2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C17H27N3O2/c1-4-15-6-5-7-16(10-15)19-17(21)18-8-9-20-11-13(2)22-14(3)12-20/h5-7,10,13-14H,4,8-9,11-12H2,1-3H3,(H2,18,19,21)/t13-,14-/m0/s1
InChIKeyUIFGJQBUHJIWBQ-KBPBESRZSA-N
XLogP2.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 42886916
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
CID 51333998
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825463
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-(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
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea
CID 55820095
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-methylphenyl)propanamide
CID 771759
2-[(3-ethylphenyl)carbamoylamino]acetamide
CID 144801383
4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid
CID 2935433
1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 167881883

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea?
The IUPAC name of 1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea (CID 51944777) is 1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea.
What is the SMILES notation for 1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea?
The canonical SMILES for 1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea is CCc1cccc(NC(=O)NCCN2C[C@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of 1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea?
The InChIKey is UIFGJQBUHJIWBQ-KBPBESRZSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-15-6-5-7-16(10-15)19-17(21)18-8-9-20-11-13(2)22-14(3)12-20/h5-7,10,13-14H,4,8-9,11-12H2,1-3H3,(H2,18,19,21)/t13-,14-/m0/s1.
What are the key properties of 1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea?
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea has a molecular weight of 305.42 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea is sourced from PubChem (CID 51944777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).