2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride

C11H18ClN3O — CID 3032080

IUPAC2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride
SMILESCN(C)c1ccc(CCNC(N)=O)cc1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-14(2)10-5-3-9(4-6-10)7-8-13-11(12)15;/h3-6H,7-8H2,1-2H3,(H3,12,13,15);1H
InChIKeyGNOCADYDRHSZNB-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.39
Rot. Bonds4

About 2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride

2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride (PubChem CID 3032080) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride
PubChem CID3032080
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride
SMILESCN(C)c1ccc(CCNC(N)=O)cc1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-14(2)10-5-3-9(4-6-10)7-8-13-11(12)15;/h3-6H,7-8H2,1-2H3,(H3,12,13,15);1H
InChIKeyGNOCADYDRHSZNB-UHFFFAOYSA-N
XLogP1.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide
CID 16891475
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438588
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104180
N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 60717379
2-(3,4-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 16889439
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
1-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111089175
2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889430
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585522
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111033131
3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012105

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride?
The IUPAC name of 2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride (CID 3032080) is 2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride is CN(C)c1ccc(CCNC(N)=O)cc1.Cl.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride?
The InChIKey is GNOCADYDRHSZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-14(2)10-5-3-9(4-6-10)7-8-13-11(12)15;/h3-6H,7-8H2,1-2H3,(H3,12,13,15);1H.
What are the key properties of 2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride?
2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride is sourced from PubChem (CID 3032080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).