1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea

C11H17N3O2 — CID 108871524

IUPAC1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
SMILESCN(C)CCNC(=O)Nc1ccccc1O
InChIInChI=1S/C11H17N3O2/c1-14(2)8-7-12-11(16)13-9-5-3-4-6-10(9)15/h3-6,15H,7-8H2,1-2H3,(H2,12,13,16)
InChIKeyPOUUUXOALUUSHU-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.08
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea

1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea (PubChem CID 108871524) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
PubChem CID108871524
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
SMILESCN(C)CCNC(=O)Nc1ccccc1O
InChIInChI=1S/C11H17N3O2/c1-14(2)8-7-12-11(16)13-9-5-3-4-6-10(9)15/h3-6,15H,7-8H2,1-2H3,(H2,12,13,16)
InChIKeyPOUUUXOALUUSHU-UHFFFAOYSA-N
XLogP1.08
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430
1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 108988227
1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea
CID 108871425
1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea
CID 75519151
3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid
CID 117235776
2-[2-(dimethylamino)ethylcarbamoylamino]-5-hydroxybenzoic acid
CID 61405753
1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea
CID 10268959
2-[2-[3-(dimethylamino)propylcarbamoylamino]phenyl]benzoic acid
CID 70114830
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097
1-(2-hydroxyphenyl)-3-(methoxymethyl)urea
CID 58971826
2-[(2-hydroxyphenyl)carbamoylamino]acetic acid
CID 19894710

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea (CID 108871524) is 1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea is CN(C)CCNC(=O)Nc1ccccc1O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea?
The InChIKey is POUUUXOALUUSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14(2)8-7-12-11(16)13-9-5-3-4-6-10(9)15/h3-6,15H,7-8H2,1-2H3,(H2,12,13,16).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea?
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea has a molecular weight of 223.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea is sourced from PubChem (CID 108871524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).