1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea

C13H21N3O2 — CID 47248219

IUPAC1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea
SMILESCCOCCNC(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C13H21N3O2/c1-4-18-10-9-14-13(17)15-11-7-5-6-8-12(11)16(2)3/h5-8H,4,9-10H2,1-3H3,(H2,14,15,17)
InChIKeyJOUCMSWOEKQZBZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.91
Rot. Bonds6

About 1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea

1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea (PubChem CID 47248219) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea
PubChem CID47248219
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea
SMILESCCOCCNC(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C13H21N3O2/c1-4-18-10-9-14-13(17)15-11-7-5-6-8-12(11)16(2)3/h5-8H,4,9-10H2,1-3H3,(H2,14,15,17)
InChIKeyJOUCMSWOEKQZBZ-UHFFFAOYSA-N
XLogP1.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 71917488
1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111116846
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 111117119
2-[[2-(dimethylamino)phenyl]carbamoyloxy]ethyl N-[2-(dimethylamino)phenyl]carbamate;hydrochloride
CID 54599742
1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea
CID 3671934
1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea
CID 3314050
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid
CID 81317508
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
methyl (2R)-2-[[2-(dimethylamino)phenyl]carbamoyl]butanoate
CID 99801099
2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid
CID 106760369

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea?
The IUPAC name of 1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea (CID 47248219) is 1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea is CCOCCNC(=O)Nc1ccccc1N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea?
The InChIKey is JOUCMSWOEKQZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-10-9-14-13(17)15-11-7-5-6-8-12(11)16(2)3/h5-8H,4,9-10H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea?
1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea has a molecular weight of 251.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea is sourced from PubChem (CID 47248219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).