1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea

C19H24N2O2 — CID 108881295

IUPAC1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
SMILESCc1ccc(OCCCNC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C19H24N2O2/c1-14-8-10-17(11-9-14)23-13-5-12-20-19(22)21-18-7-4-6-15(2)16(18)3/h4,6-11H,5,12-13H2,1-3H3,(H2,20,21,22)
InChIKeyNQDPZSRXTYASFP-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.20
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea

1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea (PubChem CID 108881295) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
PubChem CID108881295
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
SMILESCc1ccc(OCCCNC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C19H24N2O2/c1-14-8-10-17(11-9-14)23-13-5-12-20-19(22)21-18-7-4-6-15(2)16(18)3/h4,6-11H,5,12-13H2,1-3H3,(H2,20,21,22)
InChIKeyNQDPZSRXTYASFP-UHFFFAOYSA-N
XLogP4.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881211
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970105
butyl 2-[3-(4-methylphenoxy)propylcarbamoylamino]benzoate
CID 108881291
1-(2,3-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47238057
1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108888843
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
N-(2,3-dimethylphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 27808986
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304
1-[4-(diethylamino)-2-methylphenyl]-3-[3-(4-methylphenoxy)propyl]urea chloride
CID 108881458
1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea (CID 108881295) is 1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea is Cc1ccc(OCCCNC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea?
The InChIKey is NQDPZSRXTYASFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-8-10-17(11-9-14)23-13-5-12-20-19(22)21-18-7-4-6-15(2)16(18)3/h4,6-11H,5,12-13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea?
1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea has a molecular weight of 312.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea is sourced from PubChem (CID 108881295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).