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

C19H22N2O5 — CID 94652910

IUPAC1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea
SMILESCOc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2COCCO2)cc1
InChIInChI=1S/C19H22N2O5/c1-23-17-4-2-3-5-18(17)26-15-8-6-14(7-9-15)21-19(22)20-12-16-13-24-10-11-25-16/h2-9,16H,10-13H2,1H3,(H2,20,21,22)/t16-/m1/s1
InChIKeyNTWYFCGWOYYNDC-MRXNPFEDSA-N
MW358.39 g/mol
LogP3.02
Rot. Bonds6

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

1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea (PubChem CID 94652910) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea.

Molecular Properties

Compound Name1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea
PubChem CID94652910
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea
SMILESCOc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2COCCO2)cc1
InChIInChI=1S/C19H22N2O5/c1-23-17-4-2-3-5-18(17)26-15-8-6-14(7-9-15)21-19(22)20-12-16-13-24-10-11-25-16/h2-9,16H,10-13H2,1H3,(H2,20,21,22)/t16-/m1/s1
InChIKeyNTWYFCGWOYYNDC-MRXNPFEDSA-N
XLogP3.02
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea
CID 125178084
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
4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide
CID 97283753
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea
CID 125167190
1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125156664
N-[4-(2-methoxyphenoxy)phenyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119697320
1-(2H-benzotriazol-5-yl)-3-[[(2S)-1,4-dioxan-2-yl]methyl]urea
CID 125157213
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-[4-phenyl-3-(trifluoromethyl)phenyl]urea
CID 94655499
4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide
CID 120920350
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea?
The IUPAC name of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea (CID 94652910) is 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea.
What is the SMILES notation for 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea?
The canonical SMILES for 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea is COc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2COCCO2)cc1.
What is the InChIKey of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea?
The InChIKey is NTWYFCGWOYYNDC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-23-17-4-2-3-5-18(17)26-15-8-6-14(7-9-15)21-19(22)20-12-16-13-24-10-11-25-16/h2-9,16H,10-13H2,1H3,(H2,20,21,22)/t16-/m1/s1.
What are the key properties of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea?
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea has a molecular weight of 358.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea is sourced from PubChem (CID 94652910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).