1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea

C14H23N3O — CID 61341996

IUPAC1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
SMILESCCN(CC)C(=O)Nc1ccc(C(C)NC)cc1
InChIInChI=1S/C14H23N3O/c1-5-17(6-2)14(18)16-13-9-7-12(8-10-13)11(3)15-4/h7-11,15H,5-6H2,1-4H3,(H,16,18)
InChIKeyKCFSKNRKCMENMG-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.84
Rot. Bonds5

About 1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea

1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea (PubChem CID 61341996) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
PubChem CID61341996
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
SMILESCCN(CC)C(=O)Nc1ccc(C(C)NC)cc1
InChIInChI=1S/C14H23N3O/c1-5-17(6-2)14(18)16-13-9-7-12(8-10-13)11(3)15-4/h7-11,15H,5-6H2,1-4H3,(H,16,18)
InChIKeyKCFSKNRKCMENMG-UHFFFAOYSA-N
XLogP2.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea
CID 61339464
(2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119295830
3-[4-(diethylcarbamoylamino)phenyl]butanoic acid
CID 104501853
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide
CID 87001428
3-[4-[1-(2,2-dicyanoethenylamino)ethyl]phenyl]-1,1-diethylurea
CID 75416076
N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide
CID 87001432
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402
cis-(1S,3R)-3-[1-[4-(diethylcarbamoylamino)phenyl]ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066617
N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide
CID 82985299
1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea
CID 82938648
1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea
CID 81043795

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The IUPAC name of 1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea (CID 61341996) is 1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The canonical SMILES for 1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea is CCN(CC)C(=O)Nc1ccc(C(C)NC)cc1.
What is the InChIKey of 1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The InChIKey is KCFSKNRKCMENMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-17(6-2)14(18)16-13-9-7-12(8-10-13)11(3)15-4/h7-11,15H,5-6H2,1-4H3,(H,16,18).
What are the key properties of 1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea?
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea has a molecular weight of 249.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea is sourced from PubChem (CID 61341996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).