1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea

C17H26N2O2 — CID 97219103

IUPAC1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea
SMILESCC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CCCOC1
InChIInChI=1S/C17H26N2O2/c1-3-16(12-14-8-5-4-6-9-14)19(2)17(20)18-15-10-7-11-21-13-15/h4-6,8-9,15-16H,3,7,10-13H2,1-2H3,(H,18,20)/t15-,16-/m1/s1
InChIKeyCZNMYRAAXHSJCG-HZPDHXFCSA-N
MW290.41 g/mol
LogP2.83
Rot. Bonds5

About 1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea

1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea (PubChem CID 97219103) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea
PubChem CID97219103
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea
SMILESCC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CCCOC1
InChIInChI=1S/C17H26N2O2/c1-3-16(12-14-8-5-4-6-9-14)19(2)17(20)18-15-10-7-11-21-13-15/h4-6,8-9,15-16H,3,7,10-13H2,1-2H3,(H,18,20)/t15-,16-/m1/s1
InChIKeyCZNMYRAAXHSJCG-HZPDHXFCSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea with MolForge

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Related Compounds

2-amino-N-(oxan-3-yl)-3-phenylpropanamide
CID 63361697
2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361910
3-amino-2-benzyl-N-(oxan-3-yl)-3-sulfanylidenepropanamide
CID 63361577
1-benzyl-1-methyl-3-(oxolan-3-yl)urea
CID 115759352
3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361423
2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide
CID 95712632
2-[1-(oxan-3-ylamino)propyl]phenol
CID 63359773
N-(oxan-3-yl)-2-phenoxyacetamide
CID 142540024
1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea
CID 71869813
2-amino-N-(oxan-3-yl)butanamide
CID 63361393
(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide
CID 99846749
4-amino-N-(oxan-3-yl)-4-phenylbutanamide
CID 63363689

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea?
The IUPAC name of 1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea (CID 97219103) is 1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea.
What is the SMILES notation for 1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea?
The canonical SMILES for 1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea is CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CCCOC1.
What is the InChIKey of 1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea?
The InChIKey is CZNMYRAAXHSJCG-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-16(12-14-8-5-4-6-9-14)19(2)17(20)18-15-10-7-11-21-13-15/h4-6,8-9,15-16H,3,7,10-13H2,1-2H3,(H,18,20)/t15-,16-/m1/s1.
What are the key properties of 1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea?
1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea has a molecular weight of 290.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea is sourced from PubChem (CID 97219103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).