1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea

C13H21N3O2 — CID 118591807

IUPAC1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccccc1OCCCN(C)C
InChIInChI=1S/C13H21N3O2/c1-14-13(17)15-11-7-4-5-8-12(11)18-10-6-9-16(2)3/h4-5,7-8H,6,9-10H2,1-3H3,(H2,14,15,17)
InChIKeyZILAJBKOZYZFPG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.77
Rot. Bonds6

About 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea

1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea (PubChem CID 118591807) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea
PubChem CID118591807
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccccc1OCCCN(C)C
InChIInChI=1S/C13H21N3O2/c1-14-13(17)15-11-7-4-5-8-12(11)18-10-6-9-16(2)3/h4-5,7-8H,6,9-10H2,1-3H3,(H2,14,15,17)
InChIKeyZILAJBKOZYZFPG-UHFFFAOYSA-N
XLogP1.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.77
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-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 47033729
1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea
CID 58842168
N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide
CID 118591797
1,3-bis(2-butoxyphenyl)urea
CID 17170447
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
N-[2-[2-(dimethylamino)ethoxy]phenyl]-4-phenylbenzamide
CID 18672579
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
N-[2-[2-(diethylamino)ethoxy]phenyl]pentanamide
CID 71898997
N-(2-butoxyphenyl)propanamide
CID 15943029
1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea
CID 110890857

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea?
The IUPAC name of 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea (CID 118591807) is 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea.
What is the SMILES notation for 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea?
The canonical SMILES for 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea is CNC(=O)Nc1ccccc1OCCCN(C)C.
What is the InChIKey of 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea?
The InChIKey is ZILAJBKOZYZFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-14-13(17)15-11-7-4-5-8-12(11)18-10-6-9-16(2)3/h4-5,7-8H,6,9-10H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea?
1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea has a molecular weight of 251.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea is sourced from PubChem (CID 118591807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).