1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea

C11H17N3O3 — CID 108895532

IUPAC1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)Nc1cc(O)cc(O)c1
InChIInChI=1S/C11H17N3O3/c1-14(2)4-3-12-11(17)13-8-5-9(15)7-10(16)6-8/h5-7,15-16H,3-4H2,1-2H3,(H2,12,13,17)
InChIKeyFMQITLTWPVDTQS-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.78
Rot. Bonds4

About 1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea

1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea (PubChem CID 108895532) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea
PubChem CID108895532
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)Nc1cc(O)cc(O)c1
InChIInChI=1S/C11H17N3O3/c1-14(2)4-3-12-11(17)13-8-5-9(15)7-10(16)6-8/h5-7,15-16H,3-4H2,1-2H3,(H2,12,13,17)
InChIKeyFMQITLTWPVDTQS-UHFFFAOYSA-N
XLogP0.78
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloroethyl)-3-(3,5-dihydroxyphenyl)urea
CID 108895408
4-[(3,5-dihydroxyphenyl)carbamoylamino]butanoic acid
CID 108895385
2-[2-(dimethylamino)ethylcarbamoylamino]-5-hydroxybenzoic acid
CID 61405753
1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea
CID 108895351
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108895647
4-[2-(dimethylamino)ethylcarbamoylamino]-2-fluorobenzoic acid
CID 107795716
N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide
CID 108884144
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430
1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea
CID 108988244
2-[2-(dimethylamino)ethylcarbamoylamino]-4,5-difluorobenzoic acid
CID 62866801

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea (CID 108895532) is 1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea is CN(C)CCNC(=O)Nc1cc(O)cc(O)c1.
What is the InChIKey of 1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is FMQITLTWPVDTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-14(2)4-3-12-11(17)13-8-5-9(15)7-10(16)6-8/h5-7,15-16H,3-4H2,1-2H3,(H2,12,13,17).
What are the key properties of 1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea?
1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 239.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydroxyphenyl)-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 108895532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).