1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea

C18H28N2O3 — CID 60614284

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea
SMILESCOc1ccc(CCNC(=O)NC(C)CCC2CCCO2)cc1
InChIInChI=1S/C18H28N2O3/c1-14(5-8-17-4-3-13-23-17)20-18(21)19-12-11-15-6-9-16(22-2)10-7-15/h6-7,9-10,14,17H,3-5,8,11-13H2,1-2H3,(H2,19,20,21)
InChIKeyNKISOWJLCHRRNX-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.88
Rot. Bonds8

About 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea

1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea (PubChem CID 60614284) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea
PubChem CID60614284
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea
SMILESCOc1ccc(CCNC(=O)NC(C)CCC2CCCO2)cc1
InChIInChI=1S/C18H28N2O3/c1-14(5-8-17-4-3-13-23-17)20-18(21)19-12-11-15-6-9-16(22-2)10-7-15/h6-7,9-10,14,17H,3-5,8,11-13H2,1-2H3,(H2,19,20,21)
InChIKeyNKISOWJLCHRRNX-UHFFFAOYSA-N
XLogP2.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096161
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60577862
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2904909
N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149638
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 95178028
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]urea
CID 95767331
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24538290
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
CID 95192114

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea (CID 60614284) is 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea is COc1ccc(CCNC(=O)NC(C)CCC2CCCO2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea?
The InChIKey is NKISOWJLCHRRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(5-8-17-4-3-13-23-17)20-18(21)19-12-11-15-6-9-16(22-2)10-7-15/h6-7,9-10,14,17H,3-5,8,11-13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea?
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea is sourced from PubChem (CID 60614284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).