3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea

C19H30N2O3 — CID 97319807

IUPAC3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCOc1cccc([C@@H](NC(=O)N(C)C[C@H]2CCOC2)C(C)(C)C)c1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)17(15-7-6-8-16(11-15)23-5)20-18(22)21(4)12-14-9-10-24-13-14/h6-8,11,14,17H,9-10,12-13H2,1-5H3,(H,20,22)/t14-,17-/m1/s1
InChIKeyPPRLOGZLMHSRNQ-RHSMWYFYSA-N
MW334.46 g/mol
LogP3.46
Rot. Bonds5

About 3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea

3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea (PubChem CID 97319807) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea
PubChem CID97319807
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCOc1cccc([C@@H](NC(=O)N(C)C[C@H]2CCOC2)C(C)(C)C)c1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)17(15-7-6-8-16(11-15)23-5)20-18(22)21(4)12-14-9-10-24-13-14/h6-8,11,14,17H,9-10,12-13H2,1-5H3,(H,20,22)/t14-,17-/m1/s1
InChIKeyPPRLOGZLMHSRNQ-RHSMWYFYSA-N
XLogP3.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea with MolForge

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Related Compounds

3-[(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97319808
1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol
CID 111799291
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875844
3-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]-1-methyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 97221527
1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
CID 86999387
3-[2-(3-methoxyphenyl)-2-methylpropyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109381367
N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 94186811
(3R)-N-[(1R)-1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide
CID 96529069
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
1-(3-methoxyphenyl)-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63726760
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea?
The IUPAC name of 3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea (CID 97319807) is 3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea is COc1cccc([C@@H](NC(=O)N(C)C[C@H]2CCOC2)C(C)(C)C)c1.
What is the InChIKey of 3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea?
The InChIKey is PPRLOGZLMHSRNQ-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-19(2,3)17(15-7-6-8-16(11-15)23-5)20-18(22)21(4)12-14-9-10-24-13-14/h6-8,11,14,17H,9-10,12-13H2,1-5H3,(H,20,22)/t14-,17-/m1/s1.
What are the key properties of 3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea?
3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea has a molecular weight of 334.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 97319807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).