1,1,3-tris(1-hydroxypropan-2-yl)urea

C10H22N2O4 — CID 139645368

IUPAC1,1,3-tris(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)N(C(C)CO)C(C)CO
InChIInChI=1S/C10H22N2O4/c1-7(4-13)11-10(16)12(8(2)5-14)9(3)6-15/h7-9,13-15H,4-6H2,1-3H3,(H,11,16)
InChIKeyCVRULRCUBGIYTJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.86
Rot. Bonds6

About 1,1,3-tris(1-hydroxypropan-2-yl)urea

1,1,3-tris(1-hydroxypropan-2-yl)urea (PubChem CID 139645368) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1,1,3-tris(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1,1,3-tris(1-hydroxypropan-2-yl)urea
PubChem CID139645368
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Name1,1,3-tris(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)N(C(C)CO)C(C)CO
InChIInChI=1S/C10H22N2O4/c1-7(4-13)11-10(16)12(8(2)5-14)9(3)6-15/h7-9,13-15H,4-6H2,1-3H3,(H,11,16)
InChIKeyCVRULRCUBGIYTJ-UHFFFAOYSA-N
XLogP-0.86
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1,1,3-tris(1-hydroxypropan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea
CID 79159397
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea
CID 79023677
2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide
CID 126988442
N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide
CID 62677681
2-amino-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 107219144
2-amino-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 93083458
N'-(1-hydroxypropan-2-yl)-N-methyloxamide
CID 130666774
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
CID 104553103
N-(1-hydroxypropan-2-yl)cyclobutanecarboxamide
CID 43418906

Frequently Asked Questions

What is the IUPAC name of 1,1,3-tris(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1,1,3-tris(1-hydroxypropan-2-yl)urea (CID 139645368) is 1,1,3-tris(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1,1,3-tris(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1,1,3-tris(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)N(C(C)CO)C(C)CO.
What is the InChIKey of 1,1,3-tris(1-hydroxypropan-2-yl)urea?
The InChIKey is CVRULRCUBGIYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4/c1-7(4-13)11-10(16)12(8(2)5-14)9(3)6-15/h7-9,13-15H,4-6H2,1-3H3,(H,11,16).
What are the key properties of 1,1,3-tris(1-hydroxypropan-2-yl)urea?
1,1,3-tris(1-hydroxypropan-2-yl)urea has a molecular weight of 234.30 g/mol, XLogP of -0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-tris(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 139645368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).