1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea

C15H22N2O3 — CID 44756392

IUPAC1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea
SMILESCC1(C)OCC(CNC(=O)NCCc2ccccc2)O1
InChIInChI=1S/C15H22N2O3/c1-15(2)19-11-13(20-15)10-17-14(18)16-9-8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H2,16,17,18)
InChIKeyTXNLFTBNUBCHCJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.68
Rot. Bonds5

About 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea

1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea (PubChem CID 44756392) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea
PubChem CID44756392
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea
SMILESCC1(C)OCC(CNC(=O)NCCc2ccccc2)O1
InChIInChI=1S/C15H22N2O3/c1-15(2)19-11-13(20-15)10-17-14(18)16-9-8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H2,16,17,18)
InChIKeyTXNLFTBNUBCHCJ-UHFFFAOYSA-N
XLogP1.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dioxolan-2-yl)-N-(2-phenylethyl)piperidine-1-carboxamide
CID 53538055
N-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71868135
N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 84592892
3-Methyl-3-[(oxolan-3-YL)methyl]-1-(2-phenylethyl)urea
CID 91905755
4-(2-methoxyethoxy)-N-phenethyltetrahydro-1(2H)-pyridinecarboxamide
CID 91918292
4-(2-ethoxyethoxy)-N-(2-phenylethyl)piperidine-1-carboxamide
CID 91918341
1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-3-[(4-fluorophenyl)methyl]thiourea
CID 44755765
1-[[1-(2,4-Difluorophenyl)cyclopropyl]methyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
CID 75477827
(3S)-N-ethyl-3-(3-phenylpropoxy)pyrrolidine-1-carboxamide
CID 96561295
1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2R)-2-(3-methylphenyl)propyl]urea
CID 97306402
1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 97615169
1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea
CID 164636962

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea (CID 44756392) is 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea is CC1(C)OCC(CNC(=O)NCCc2ccccc2)O1.
What is the InChIKey of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea?
The InChIKey is TXNLFTBNUBCHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2)19-11-13(20-15)10-17-14(18)16-9-8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea?
1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea has a molecular weight of 278.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 44756392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).