1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea

C17H26N2O3 — CID 97306402

IUPAC1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea
SMILESCc1cccc([C@@H](C)CNC(=O)NCCC2(C)OCCO2)c1
InChIInChI=1S/C17H26N2O3/c1-13-5-4-6-15(11-13)14(2)12-19-16(20)18-8-7-17(3)21-9-10-22-17/h4-6,11,14H,7-10,12H2,1-3H3,(H2,18,19,20)/t14-/m0/s1
InChIKeyFEURYAPHIIEMPA-AWEZNQCLSA-N
MW306.41 g/mol
LogP2.55
Rot. Bonds6

About 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea

1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea (PubChem CID 97306402) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea
PubChem CID97306402
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea
SMILESCc1cccc([C@@H](C)CNC(=O)NCCC2(C)OCCO2)c1
InChIInChI=1S/C17H26N2O3/c1-13-5-4-6-15(11-13)14(2)12-19-16(20)18-8-7-17(3)21-9-10-22-17/h4-6,11,14H,7-10,12H2,1-3H3,(H2,18,19,20)/t14-/m0/s1
InChIKeyFEURYAPHIIEMPA-AWEZNQCLSA-N
XLogP2.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea?
The IUPAC name of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea (CID 97306402) is 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea.
What is the SMILES notation for 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea?
The canonical SMILES for 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea is Cc1cccc([C@@H](C)CNC(=O)NCCC2(C)OCCO2)c1.
What is the InChIKey of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea?
The InChIKey is FEURYAPHIIEMPA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-5-4-6-15(11-13)14(2)12-19-16(20)18-8-7-17(3)21-9-10-22-17/h4-6,11,14H,7-10,12H2,1-3H3,(H2,18,19,20)/t14-/m0/s1.
What are the key properties of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea?
1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea has a molecular weight of 306.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea is sourced from PubChem (CID 97306402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).