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

C13H21N3O — CID 23764430

IUPAC1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NCCN(C)C
InChIInChI=1S/C13H21N3O/c1-4-11-7-5-6-8-12(11)15-13(17)14-9-10-16(2)3/h5-8H,4,9-10H2,1-3H3,(H2,14,15,17)
InChIKeyUCMLUAUOCGSRBV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.93
Rot. Bonds5

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

1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea (PubChem CID 23764430) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
PubChem CID23764430
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NCCN(C)C
InChIInChI=1S/C13H21N3O/c1-4-11-7-5-6-8-12(11)15-13(17)14-9-10-16(2)3/h5-8H,4,9-10H2,1-3H3,(H2,14,15,17)
InChIKeyUCMLUAUOCGSRBV-UHFFFAOYSA-N
XLogP1.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133719
N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
CID 7585187
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-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea
CID 75519151
1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046007
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea
CID 47081878
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea (CID 23764430) is 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)NCCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea?
The InChIKey is UCMLUAUOCGSRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-11-7-5-6-8-12(11)15-13(17)14-9-10-16(2)3/h5-8H,4,9-10H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea?
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea has a molecular weight of 235.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea is sourced from PubChem (CID 23764430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).