[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea

C11H17N3O3 — CID 171858335

IUPAC[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea
SMILESCNCC(O)C(O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C11H17N3O3/c1-13-6-9(15)10(16)7-3-2-4-8(5-7)14-11(12)17/h2-5,9-10,13,15-16H,6H2,1H3,(H3,12,14,17)
InChIKeyWOLFPXBYVSEALS-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.21
Rot. Bonds5

About [3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea

[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea (PubChem CID 171858335) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is [3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea.

Molecular Properties

Compound Name[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea
PubChem CID171858335
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea
SMILESCNCC(O)C(O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C11H17N3O3/c1-13-6-9(15)10(16)7-3-2-4-8(5-7)14-11(12)17/h2-5,9-10,13,15-16H,6H2,1H3,(H3,12,14,17)
InChIKeyWOLFPXBYVSEALS-UHFFFAOYSA-N
XLogP-0.21
TPSA107.61 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide
CID 171858433
3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol
CID 171857694
[3-(1-hydroxypropan-2-yl)phenyl]urea
CID 117284641
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol
CID 171859200
1-[3-(difluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171857797
1-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]cyclopropane-1-carboxylic acid
CID 171858743
N-[3-(4-chloro-1,2-dihydroxybutyl)phenyl]acetamide
CID 171894292
5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide
CID 171858406
[3-(methylamino)phenyl]urea
CID 23558981
benzyl N-[3-[3-(carbamothioylamino)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171856289
[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea
CID 43790841

Frequently Asked Questions

What is the IUPAC name of [3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea?
The IUPAC name of [3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea (CID 171858335) is [3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea.
What is the SMILES notation for [3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea?
The canonical SMILES for [3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea is CNCC(O)C(O)c1cccc(NC(N)=O)c1.
What is the InChIKey of [3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea?
The InChIKey is WOLFPXBYVSEALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13-6-9(15)10(16)7-3-2-4-8(5-7)14-11(12)17/h2-5,9-10,13,15-16H,6H2,1H3,(H3,12,14,17).
What are the key properties of [3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea?
[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea has a molecular weight of 239.28 g/mol, XLogP of -0.21, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea is sourced from PubChem (CID 171858335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).