1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea

C19H22N2O4 — CID 125178084

IUPAC1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea
SMILESCOc1ccc(-c2ccc(NC(=O)NC[C@@H]3COCCO3)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-23-17-8-4-15(5-9-17)14-2-6-16(7-3-14)21-19(22)20-12-18-13-24-10-11-25-18/h2-9,18H,10-13H2,1H3,(H2,20,21,22)/t18-/m1/s1
InChIKeyQKNUCXGRJDIVHO-GOSISDBHSA-N
MW342.40 g/mol
LogP2.90
Rot. Bonds5

About 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea

1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea (PubChem CID 125178084) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea.

Molecular Properties

Compound Name1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea
PubChem CID125178084
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea
SMILESCOc1ccc(-c2ccc(NC(=O)NC[C@@H]3COCCO3)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-23-17-8-4-15(5-9-17)14-2-6-16(7-3-14)21-19(22)20-12-18-13-24-10-11-25-18/h2-9,18H,10-13H2,1H3,(H2,20,21,22)/t18-/m1/s1
InChIKeyQKNUCXGRJDIVHO-GOSISDBHSA-N
XLogP2.90
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea
CID 94652910
ethyl N-[4-[[(2S)-1,4-dioxan-2-yl]methylcarbamoylamino]phenyl]carbamate
CID 94653303
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 94652752
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 94652754
1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125156664
1-(2H-benzotriazol-5-yl)-3-[[(2S)-1,4-dioxan-2-yl]methyl]urea
CID 125157213
N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 95164050
4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide
CID 97283753
N-(1,4-dioxan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 24981337
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide
CID 164640711
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-[4-phenyl-3-(trifluoromethyl)phenyl]urea
CID 94655499

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea?
The IUPAC name of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea (CID 125178084) is 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea.
What is the SMILES notation for 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea?
The canonical SMILES for 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea is COc1ccc(-c2ccc(NC(=O)NC[C@@H]3COCCO3)cc2)cc1.
What is the InChIKey of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea?
The InChIKey is QKNUCXGRJDIVHO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-23-17-8-4-15(5-9-17)14-2-6-16(7-3-14)21-19(22)20-12-18-13-24-10-11-25-18/h2-9,18H,10-13H2,1H3,(H2,20,21,22)/t18-/m1/s1.
What are the key properties of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea?
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea has a molecular weight of 342.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea is sourced from PubChem (CID 125178084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).