1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea

C20H24N2O3 — CID 71866432

IUPAC1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea
SMILESCN(C(=O)NCc1ccccc1Oc1ccccc1)C1CCOCC1
InChIInChI=1S/C20H24N2O3/c1-22(17-11-13-24-14-12-17)20(23)21-15-16-7-5-6-10-19(16)25-18-8-3-2-4-9-18/h2-10,17H,11-15H2,1H3,(H,21,23)
InChIKeyQHJCATPVGVYZAF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.80
Rot. Bonds5

About 1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea

1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea (PubChem CID 71866432) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea
PubChem CID71866432
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea
SMILESCN(C(=O)NCc1ccccc1Oc1ccccc1)C1CCOCC1
InChIInChI=1S/C20H24N2O3/c1-22(17-11-13-24-14-12-17)20(23)21-15-16-7-5-6-10-19(16)25-18-8-3-2-4-9-18/h2-10,17H,11-15H2,1H3,(H,21,23)
InChIKeyQHJCATPVGVYZAF-UHFFFAOYSA-N
XLogP3.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-methyl-1-(oxan-4-yl)urea
CID 103717227
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435
N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide
CID 154880106
2-amino-N-[[2-(4-methylphenoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120792516
3-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]benzoic acid
CID 61202979
2-(cyclopropylmethylamino)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 119756337
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795648
1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea
CID 110909282
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795647
2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid
CID 61203496
2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid
CID 43611566

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea?
The IUPAC name of 1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea (CID 71866432) is 1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea.
What is the SMILES notation for 1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea?
The canonical SMILES for 1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea is CN(C(=O)NCc1ccccc1Oc1ccccc1)C1CCOCC1.
What is the InChIKey of 1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea?
The InChIKey is QHJCATPVGVYZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-22(17-11-13-24-14-12-17)20(23)21-15-16-7-5-6-10-19(16)25-18-8-3-2-4-9-18/h2-10,17H,11-15H2,1H3,(H,21,23).
What are the key properties of 1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea?
1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea has a molecular weight of 340.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea is sourced from PubChem (CID 71866432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).