1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea

C16H27N3O2 — CID 81043795

IUPAC1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea
SMILESCNC(C)c1ccc(NC(=O)N(C)CCOC(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-12(2)21-11-10-19(5)16(20)18-15-8-6-14(7-9-15)13(3)17-4/h6-9,12-13,17H,10-11H2,1-5H3,(H,18,20)
InChIKeyFKEFOPCKHPBADH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.86
Rot. Bonds7

About 1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea

1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea (PubChem CID 81043795) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea
PubChem CID81043795
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea
SMILESCNC(C)c1ccc(NC(=O)N(C)CCOC(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-12(2)21-11-10-19(5)16(20)18-15-8-6-14(7-9-15)13(3)17-4/h6-9,12-13,17H,10-11H2,1-5H3,(H,18,20)
InChIKeyFKEFOPCKHPBADH-UHFFFAOYSA-N
XLogP2.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062388
1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 81043794
1-(2-ethoxyethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 81062754
1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea
CID 82938648
3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea
CID 61339464
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 63008742
1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea
CID 63699163
1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61339495
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
2-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]acetamide
CID 61279184
3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062243

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea?
The IUPAC name of 1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea (CID 81043795) is 1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea.
What is the SMILES notation for 1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea?
The canonical SMILES for 1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea is CNC(C)c1ccc(NC(=O)N(C)CCOC(C)C)cc1.
What is the InChIKey of 1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea?
The InChIKey is FKEFOPCKHPBADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)21-11-10-19(5)16(20)18-15-8-6-14(7-9-15)13(3)17-4/h6-9,12-13,17H,10-11H2,1-5H3,(H,18,20).
What are the key properties of 1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea?
1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea has a molecular weight of 293.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea is sourced from PubChem (CID 81043795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).