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

C19H29N3O3 — CID 124729841

IUPAC1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESC[C@@H]1CN(c2ccccc2NC(=O)N[C@H](C)[C@H]2CCCO2)C[C@H](C)O1
InChIInChI=1S/C19H29N3O3/c1-13-11-22(12-14(2)25-13)17-8-5-4-7-16(17)21-19(23)20-15(3)18-9-6-10-24-18/h4-5,7-8,13-15,18H,6,9-12H2,1-3H3,(H2,20,21,23)/t13-,14+,15-,18-/m1/s1
InChIKeyGTVHWZNYVFAWQE-BASYENTBSA-N
MW347.46 g/mol
LogP2.99
Rot. Bonds4

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

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea (PubChem CID 124729841) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
PubChem CID124729841
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESC[C@@H]1CN(c2ccccc2NC(=O)N[C@H](C)[C@H]2CCCO2)C[C@H](C)O1
InChIInChI=1S/C19H29N3O3/c1-13-11-22(12-14(2)25-13)17-8-5-4-7-16(17)21-19(23)20-15(3)18-9-6-10-24-18/h4-5,7-8,13-15,18H,6,9-12H2,1-3H3,(H2,20,21,23)/t13-,14+,15-,18-/m1/s1
InChIKeyGTVHWZNYVFAWQE-BASYENTBSA-N
XLogP2.99
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea with MolForge

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Related Compounds

3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 100859036
1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
CID 51085659
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(4-hydroxyphenyl)urea
CID 124618726
2-chloro-6-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 63724489
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
CID 94154582
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea
CID 94120386
(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide
CID 94154647
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 94028744
N'-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-[(2R)-2-hydroxypropyl]oxamide
CID 94444100
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3,4,4-trimethylpentanamide
CID 86901306
4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198516

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea (CID 124729841) is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea is C[C@@H]1CN(c2ccccc2NC(=O)N[C@H](C)[C@H]2CCCO2)C[C@H](C)O1.
What is the InChIKey of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The InChIKey is GTVHWZNYVFAWQE-BASYENTBSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-11-22(12-14(2)25-13)17-8-5-4-7-16(17)21-19(23)20-15(3)18-9-6-10-24-18/h4-5,7-8,13-15,18H,6,9-12H2,1-3H3,(H2,20,21,23)/t13-,14+,15-,18-/m1/s1.
What are the key properties of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea has a molecular weight of 347.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 124729841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).