[4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea

C12H19N3O3 — CID 65312424

IUPAC[4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea
SMILESCC(NC(CO)CO)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C12H19N3O3/c1-8(14-11(6-16)7-17)9-2-4-10(5-3-9)15-12(13)18/h2-5,8,11,14,16-17H,6-7H2,1H3,(H3,13,15,18)
InChIKeyJECWQYNVOFDFHZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.18
Rot. Bonds6

About [4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea

[4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea (PubChem CID 65312424) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is [4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea
PubChem CID65312424
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name[4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea
SMILESCC(NC(CO)CO)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C12H19N3O3/c1-8(14-11(6-16)7-17)9-2-4-10(5-3-9)15-12(13)18/h2-5,8,11,14,16-17H,6-7H2,1H3,(H3,13,15,18)
InChIKeyJECWQYNVOFDFHZ-UHFFFAOYSA-N
XLogP0.18
TPSA107.61 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
CID 43750016
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
[4-[1-(heptan-3-ylamino)ethyl]phenyl]urea
CID 63945914
[4-[1-(pent-4-yn-2-ylamino)ethyl]phenyl]urea
CID 115725242
methyl (2S)-2-[1-[4-(carbamoylamino)phenyl]ethylamino]propanoate
CID 43786771
[4-[1-(1-ethylsulfanylpropan-2-ylamino)ethyl]phenyl]urea
CID 115725626
[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea
CID 43750014
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
[4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea
CID 81392080
[4-[1-(1H-pyrrol-2-ylmethylamino)ethyl]phenyl]urea
CID 62340246
2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
CID 65315422

Frequently Asked Questions

What is the IUPAC name of [4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea (CID 65312424) is [4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea is CC(NC(CO)CO)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea?
The InChIKey is JECWQYNVOFDFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(14-11(6-16)7-17)9-2-4-10(5-3-9)15-12(13)18/h2-5,8,11,14,16-17H,6-7H2,1H3,(H3,13,15,18).
What are the key properties of [4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea?
[4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea has a molecular weight of 253.30 g/mol, XLogP of 0.18, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea is sourced from PubChem (CID 65312424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).