1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea

C19H28N2O4 — CID 95259007

IUPAC1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCc1ccc(NC(=O)N(C)C[C@@H]2CCCO2)c(OC[C@H]2CCCO2)c1
InChIInChI=1S/C19H28N2O4/c1-14-7-8-17(18(11-14)25-13-16-6-4-10-24-16)20-19(22)21(2)12-15-5-3-9-23-15/h7-8,11,15-16H,3-6,9-10,12-13H2,1-2H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyVDRXETPEVNYPQM-JKSUJKDBSA-N
MW348.44 g/mol
LogP3.20
Rot. Bonds6

About 1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea

1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 95259007) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID95259007
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCc1ccc(NC(=O)N(C)C[C@@H]2CCCO2)c(OC[C@H]2CCCO2)c1
InChIInChI=1S/C19H28N2O4/c1-14-7-8-17(18(11-14)25-13-16-6-4-10-24-16)20-19(22)21(2)12-15-5-3-9-23-15/h7-8,11,15-16H,3-6,9-10,12-13H2,1-2H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyVDRXETPEVNYPQM-JKSUJKDBSA-N
XLogP3.20
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea with MolForge

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Related Compounds

3-(2-bromo-4-methylphenyl)-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 51094112
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-3-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]urea
CID 166195939
4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 119300251
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
CID 129466833
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 166192418
7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
CID 119743232
4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119182039
3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 60574673
(3S)-1-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94646530
(E)-3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 134048019

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea (CID 95259007) is 1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea is Cc1ccc(NC(=O)N(C)C[C@@H]2CCCO2)c(OC[C@H]2CCCO2)c1.
What is the InChIKey of 1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is VDRXETPEVNYPQM-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14-7-8-17(18(11-14)25-13-16-6-4-10-24-16)20-19(22)21(2)12-15-5-3-9-23-15/h7-8,11,15-16H,3-6,9-10,12-13H2,1-2H3,(H,20,22)/t15-,16+/m0/s1.
What are the key properties of 1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 348.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 95259007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).