1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea

C13H20N2O4 — CID 94812273

IUPAC1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
SMILESCOC[C@H](C)NC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C13H20N2O4/c1-9(8-17-2)14-13(16)15-11-6-5-10(18-3)7-12(11)19-4/h5-7,9H,8H2,1-4H3,(H2,14,15,16)/t9-/m0/s1
InChIKeyXYFCVWALAVEGRV-VIFPVBQESA-N
MW268.31 g/mol
LogP1.86
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea

1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea (PubChem CID 94812273) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
PubChem CID94812273
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
SMILESCOC[C@H](C)NC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C13H20N2O4/c1-9(8-17-2)14-13(16)15-11-6-5-10(18-3)7-12(11)19-4/h5-7,9H,8H2,1-4H3,(H2,14,15,16)/t9-/m0/s1
InChIKeyXYFCVWALAVEGRV-VIFPVBQESA-N
XLogP1.86
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009289
1-(2-bromo-4,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)urea
CID 60569611
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727
1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911046
N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide
CID 38956787
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
1-(2-chloro-4-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51074651
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812234
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51080192
4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109044149

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea (CID 94812273) is 1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea is COC[C@H](C)NC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea?
The InChIKey is XYFCVWALAVEGRV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9(8-17-2)14-13(16)15-11-6-5-10(18-3)7-12(11)19-4/h5-7,9H,8H2,1-4H3,(H2,14,15,16)/t9-/m0/s1.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea?
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea has a molecular weight of 268.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea is sourced from PubChem (CID 94812273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).