1-(2-hydroxypropyl)-1,3,3-trimethylurea

C7H16N2O2 — CID 79153852

IUPAC1-(2-hydroxypropyl)-1,3,3-trimethylurea
SMILESCC(O)CN(C)C(=O)N(C)C
InChIInChI=1S/C7H16N2O2/c1-6(10)5-9(4)7(11)8(2)3/h6,10H,5H2,1-4H3
InChIKeyPPEUFMPVINPGHY-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.02
Rot. Bonds2

About 1-(2-hydroxypropyl)-1,3,3-trimethylurea

1-(2-hydroxypropyl)-1,3,3-trimethylurea (PubChem CID 79153852) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-1,3,3-trimethylurea
PubChem CID79153852
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name1-(2-hydroxypropyl)-1,3,3-trimethylurea
SMILESCC(O)CN(C)C(=O)N(C)C
InChIInChI=1S/C7H16N2O2/c1-6(10)5-9(4)7(11)8(2)3/h6,10H,5H2,1-4H3
InChIKeyPPEUFMPVINPGHY-UHFFFAOYSA-N
XLogP-0.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid
CID 62338542
1-(2-cyanopropyl)-1,3,3-trimethylurea
CID 78969861
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide
CID 62335459
N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
CID 62335118
2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid
CID 62337174
N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide
CID 107028266
2-acetamido-N-(2-hydroxypropyl)-N,3-dimethylbutanamide
CID 62334399
2-[dimethylcarbamoyl(methyl)amino]acetic acid
CID 43135260
5-hydroxy-N-(2-hydroxypropyl)-N-methylpentanamide
CID 79199467
ethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate
CID 62338582
4-[[2-hydroxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 62337963

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-1,3,3-trimethylurea?
The IUPAC name of 1-(2-hydroxypropyl)-1,3,3-trimethylurea (CID 79153852) is 1-(2-hydroxypropyl)-1,3,3-trimethylurea.
What is the SMILES notation for 1-(2-hydroxypropyl)-1,3,3-trimethylurea?
The canonical SMILES for 1-(2-hydroxypropyl)-1,3,3-trimethylurea is CC(O)CN(C)C(=O)N(C)C.
What is the InChIKey of 1-(2-hydroxypropyl)-1,3,3-trimethylurea?
The InChIKey is PPEUFMPVINPGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(10)5-9(4)7(11)8(2)3/h6,10H,5H2,1-4H3.
What are the key properties of 1-(2-hydroxypropyl)-1,3,3-trimethylurea?
1-(2-hydroxypropyl)-1,3,3-trimethylurea has a molecular weight of 160.22 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-1,3,3-trimethylurea is sourced from PubChem (CID 79153852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).