1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

C17H26N2O3 — CID 95622093

IUPAC1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCC(C)c1ccccc1OCCNC(=O)NC[C@@H]1CCOC1
InChIInChI=1S/C17H26N2O3/c1-13(2)15-5-3-4-6-16(15)22-10-8-18-17(20)19-11-14-7-9-21-12-14/h3-6,13-14H,7-12H2,1-2H3,(H2,18,19,20)/t14-/m0/s1
InChIKeyCFJIXCKHEYMGQV-AWEZNQCLSA-N
MW306.41 g/mol
LogP2.52
Rot. Bonds7

About 1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (PubChem CID 95622093) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
PubChem CID95622093
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCC(C)c1ccccc1OCCNC(=O)NC[C@@H]1CCOC1
InChIInChI=1S/C17H26N2O3/c1-13(2)15-5-3-4-6-16(15)22-10-8-18-17(20)19-11-14-7-9-21-12-14/h3-6,13-14H,7-12H2,1-2H3,(H2,18,19,20)/t14-/m0/s1
InChIKeyCFJIXCKHEYMGQV-AWEZNQCLSA-N
XLogP2.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111506241
2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62571173
2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62573045
4-[2-(2-propan-2-ylphenoxy)ethylcarbamoylamino]butanoic acid
CID 122001770
1-[3-(dimethylamino)propyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972198
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111435144
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
CID 108913018
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972191
2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62598290
1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972279

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (CID 95622093) is 1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is CC(C)c1ccccc1OCCNC(=O)NC[C@@H]1CCOC1.
What is the InChIKey of 1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is CFJIXCKHEYMGQV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(2)15-5-3-4-6-16(15)22-10-8-18-17(20)19-11-14-7-9-21-12-14/h3-6,13-14H,7-12H2,1-2H3,(H2,18,19,20)/t14-/m0/s1.
What are the key properties of 1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 306.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 95622093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).