3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea

C16H26N2O2 — CID 112969805

IUPAC3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NCCOc1ccccc1C
InChIInChI=1S/C16H26N2O2/c1-4-11-18(12-5-2)16(19)17-10-13-20-15-9-7-6-8-14(15)3/h6-9H,4-5,10-13H2,1-3H3,(H,17,19)
InChIKeyYADUVWVHZLRZRA-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.21
Rot. Bonds8

About 3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea

3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea (PubChem CID 112969805) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea.

Molecular Properties

Compound Name3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea
PubChem CID112969805
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NCCOc1ccccc1C
InChIInChI=1S/C16H26N2O2/c1-4-11-18(12-5-2)16(19)17-10-13-20-15-9-7-6-8-14(15)3/h6-9H,4-5,10-13H2,1-3H3,(H,17,19)
InChIKeyYADUVWVHZLRZRA-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883758
1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
1-tert-butyl-1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883940
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 60547355
1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea
CID 108883830
2-[4-(2-methylphenoxy)butanoyl-propylamino]acetic acid
CID 61007178
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969797
2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742926
2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide
CID 2227968
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide
CID 111226233

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea?
The IUPAC name of 3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea (CID 112969805) is 3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea.
What is the SMILES notation for 3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea?
The canonical SMILES for 3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea is CCCN(CCC)C(=O)NCCOc1ccccc1C.
What is the InChIKey of 3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea?
The InChIKey is YADUVWVHZLRZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-11-18(12-5-2)16(19)17-10-13-20-15-9-7-6-8-14(15)3/h6-9H,4-5,10-13H2,1-3H3,(H,17,19).
What are the key properties of 3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea?
3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea has a molecular weight of 278.40 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea is sourced from PubChem (CID 112969805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).