1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea

C16H27N3O2 — CID 81043794

IUPAC1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
SMILESCCNC(C)c1ccc(NC(=O)N(C)CCOCC)cc1
InChIInChI=1S/C16H27N3O2/c1-5-17-13(3)14-7-9-15(10-8-14)18-16(20)19(4)11-12-21-6-2/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,18,20)
InChIKeyWPLQFYKORBAGOS-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.86
Rot. Bonds8

About 1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea

1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea (PubChem CID 81043794) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
PubChem CID81043794
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
SMILESCCNC(C)c1ccc(NC(=O)N(C)CCOCC)cc1
InChIInChI=1S/C16H27N3O2/c1-5-17-13(3)14-7-9-15(10-8-14)18-16(20)19(4)11-12-21-6-2/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,18,20)
InChIKeyWPLQFYKORBAGOS-UHFFFAOYSA-N
XLogP2.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.86
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-ethoxyethyl)-3-[3-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 81043707
3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea
CID 62338403
1-(2-ethoxyethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 81062754
1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea
CID 81043795
1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 62854786
3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea
CID 63962271
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062388
1,1-bis(cyanomethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61342198
N-[4-[1-(ethylamino)ethyl]phenyl]-2-propan-2-yloxyacetamide
CID 112602421
3-[3-(aminomethyl)phenyl]-1-(2-ethoxyethyl)-1-methylurea
CID 81056992
1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea
CID 63699163
3-[4-(1-aminoethyl)phenyl]-1-butyl-1-methylurea
CID 61340181

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea?
The IUPAC name of 1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea (CID 81043794) is 1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea?
The canonical SMILES for 1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea is CCNC(C)c1ccc(NC(=O)N(C)CCOCC)cc1.
What is the InChIKey of 1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea?
The InChIKey is WPLQFYKORBAGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-17-13(3)14-7-9-15(10-8-14)18-16(20)19(4)11-12-21-6-2/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,18,20).
What are the key properties of 1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea?
1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea has a molecular weight of 293.41 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea is sourced from PubChem (CID 81043794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).