2-(2,2-diethoxyethyl)nonylurea

C16H34N2O3 — CID 151957297

IUPAC2-(2,2-diethoxyethyl)nonylurea
SMILESCCCCCCCC(CNC(N)=O)CC(OCC)OCC
InChIInChI=1S/C16H34N2O3/c1-4-7-8-9-10-11-14(13-18-16(17)19)12-15(20-5-2)21-6-3/h14-15H,4-13H2,1-3H3,(H3,17,18,19)
InChIKeyTXXGEZQLKJBJFN-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.42
Rot. Bonds14

About 2-(2,2-diethoxyethyl)nonylurea

2-(2,2-diethoxyethyl)nonylurea (PubChem CID 151957297) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-(2,2-diethoxyethyl)nonylurea.

Molecular Properties

Compound Name2-(2,2-diethoxyethyl)nonylurea
PubChem CID151957297
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Name2-(2,2-diethoxyethyl)nonylurea
SMILESCCCCCCCC(CNC(N)=O)CC(OCC)OCC
InChIInChI=1S/C16H34N2O3/c1-4-7-8-9-10-11-14(13-18-16(17)19)12-15(20-5-2)21-6-3/h14-15H,4-13H2,1-3H3,(H3,17,18,19)
InChIKeyTXXGEZQLKJBJFN-UHFFFAOYSA-N
XLogP3.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-diethoxyethyl)tridecan-1-amine
CID 150434476
2-aminohexylurea
CID 171485886
2-ethoxyoctanamide
CID 174492663
(3S)-1,1,3-triethoxynonane
CID 3084722
ethyl (2R,3S)-2,3-dihydroxydecanoate
CID 11107207
N-(2,2-diethoxyethyl)hexanamide
CID 79547284
3-tetradecylheptadecanamide
CID 89491134
diethyl (2S,3R)-2-hydroxy-3-tetracosylbutanedioate
CID 57333842
ethyl 3-butylnonanoate
CID 131636821
2-butyloctyl carbamate
CID 22099120
methyl (2S,3R)-2,3-dihydroxydodecanoate
CID 11806949
methyl (2S,3R)-2,3-dihydroxyhexadecanoate
CID 101007980

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethyl)nonylurea?
The IUPAC name of 2-(2,2-diethoxyethyl)nonylurea (CID 151957297) is 2-(2,2-diethoxyethyl)nonylurea.
What is the SMILES notation for 2-(2,2-diethoxyethyl)nonylurea?
The canonical SMILES for 2-(2,2-diethoxyethyl)nonylurea is CCCCCCCC(CNC(N)=O)CC(OCC)OCC.
What is the InChIKey of 2-(2,2-diethoxyethyl)nonylurea?
The InChIKey is TXXGEZQLKJBJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-4-7-8-9-10-11-14(13-18-16(17)19)12-15(20-5-2)21-6-3/h14-15H,4-13H2,1-3H3,(H3,17,18,19).
What are the key properties of 2-(2,2-diethoxyethyl)nonylurea?
2-(2,2-diethoxyethyl)nonylurea has a molecular weight of 302.46 g/mol, XLogP of 3.42, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethyl)nonylurea is sourced from PubChem (CID 151957297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).