1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea

C21H28N2O2 — CID 3871734

IUPAC1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea
SMILESCc1cccc(C)c1OCC(C)NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-14(2)18-9-11-19(12-10-18)23-21(24)22-17(5)13-25-20-15(3)7-6-8-16(20)4/h6-12,14,17H,13H2,1-5H3,(H2,22,23,24)
InChIKeyWFPLTGVAHVAHPR-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.02
Rot. Bonds6

About 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea

1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 3871734) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea
PubChem CID3871734
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea
SMILESCc1cccc(C)c1OCC(C)NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-14(2)18-9-11-19(12-10-18)23-21(24)22-17(5)13-25-20-15(3)7-6-8-16(20)4/h6-12,14,17H,13H2,1-5H3,(H2,22,23,24)
InChIKeyWFPLTGVAHVAHPR-UHFFFAOYSA-N
XLogP5.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3839296
1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
CID 3820122
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
CID 3391401
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 3875444
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 164614215
5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid
CID 82847921
1-(3,5-dichlorophenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]thiourea
CID 3733761
N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
CID 55657686
5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide
CID 3668905

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea (CID 3871734) is 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea is Cc1cccc(C)c1OCC(C)NC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is WFPLTGVAHVAHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14(2)18-9-11-19(12-10-18)23-21(24)22-17(5)13-25-20-15(3)7-6-8-16(20)4/h6-12,14,17H,13H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea?
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 340.47 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 3871734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).