1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea

C14H23N3O — CID 79154849

IUPAC1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea
SMILESCCCNC(C)c1ccccc1NC(=O)N(C)C
InChIInChI=1S/C14H23N3O/c1-5-10-15-11(2)12-8-6-7-9-13(12)16-14(18)17(3)4/h6-9,11,15H,5,10H2,1-4H3,(H,16,18)
InChIKeyZWDYEQSBHBMFGQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.84
Rot. Bonds5

About 1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea

1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea (PubChem CID 79154849) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea
PubChem CID79154849
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea
SMILESCCCNC(C)c1ccccc1NC(=O)N(C)C
InChIInChI=1S/C14H23N3O/c1-5-10-15-11(2)12-8-6-7-9-13(12)16-14(18)17(3)4/h6-9,11,15H,5,10H2,1-4H3,(H,16,18)
InChIKeyZWDYEQSBHBMFGQ-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-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
CID 79154848
2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide
CID 43508040
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide
CID 104517879
2-cyclopropyl-N-[2-[1-(propylamino)ethyl]phenyl]acetamide
CID 55031756
3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116843
N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide
CID 63010645
1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea
CID 83116277
3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116569
3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide
CID 154785307
N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide
CID 43508002
1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea
CID 116658189

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea (CID 79154849) is 1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea is CCCNC(C)c1ccccc1NC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea?
The InChIKey is ZWDYEQSBHBMFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-10-15-11(2)12-8-6-7-9-13(12)16-14(18)17(3)4/h6-9,11,15H,5,10H2,1-4H3,(H,16,18).
What are the key properties of 1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea?
1,1-dimethyl-3-[2-[1-(propylamino)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-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea is sourced from PubChem (CID 79154849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).