1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea

C15H25N3O2 — CID 112970015

IUPAC1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea
SMILESCc1ccc(OCCNC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-13-5-7-14(8-6-13)20-12-10-17-15(19)16-9-4-11-18(2)3/h5-8H,4,9-12H2,1-3H3,(H2,16,17,19)
InChIKeyBNMAVXNQSFUVHW-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.62
Rot. Bonds8

About 1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea

1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea (PubChem CID 112970015) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea
PubChem CID112970015
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea
SMILESCc1ccc(OCCNC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-13-5-7-14(8-6-13)20-12-10-17-15(19)16-9-4-11-18(2)3/h5-8H,4,9-12H2,1-3H3,(H2,16,17,19)
InChIKeyBNMAVXNQSFUVHW-UHFFFAOYSA-N
XLogP1.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.62
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-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108988343
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
1-[3-(4-methylphenoxy)propyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108881373
1-[2-(dimethylamino)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973611
1-[3-(dimethylamino)propyl]-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870723
2-[3-(dimethylamino)propyl]-1-ethyl-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111276717
2-[3-(4-methylphenoxy)propylcarbamoylamino]propanoic acid
CID 108881262
1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881396
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea (CID 112970015) is 1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea is Cc1ccc(OCCNC(=O)NCCCN(C)C)cc1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea?
The InChIKey is BNMAVXNQSFUVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-13-5-7-14(8-6-13)20-12-10-17-15(19)16-9-4-11-18(2)3/h5-8H,4,9-12H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea?
1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea has a molecular weight of 279.38 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112970015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).