1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea

C18H22N2O3 — CID 23937340

IUPAC1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea
SMILESCCC(COC)NC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-3-14(13-22-2)19-18(21)20-16-11-7-8-12-17(16)23-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H2,19,20,21)
InChIKeyZVKCFABDFWTSAA-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.03
Rot. Bonds7

About 1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea

1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea (PubChem CID 23937340) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea
PubChem CID23937340
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea
SMILESCCC(COC)NC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-3-14(13-22-2)19-18(21)20-16-11-7-8-12-17(16)23-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H2,19,20,21)
InChIKeyZVKCFABDFWTSAA-UHFFFAOYSA-N
XLogP4.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447920
1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
CID 47264632
2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 21173380
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate
CID 108992330
1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812234
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
(2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide
CID 104897960
N-pentan-3-yl-2-phenoxybenzamide
CID 884731
N-(2-phenoxyphenyl)-2-phenylpropanamide
CID 2933761

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea?
The IUPAC name of 1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea (CID 23937340) is 1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea.
What is the SMILES notation for 1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea?
The canonical SMILES for 1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea is CCC(COC)NC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea?
The InChIKey is ZVKCFABDFWTSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-14(13-22-2)19-18(21)20-16-11-7-8-12-17(16)23-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea?
1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea has a molecular weight of 314.38 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea is sourced from PubChem (CID 23937340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).