1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea

C22H30N2O2 — CID 108880470

IUPAC1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCc1cccc(C(C)C)c1NC(=O)NC(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C22H30N2O2/c1-14(2)18-10-12-19(13-11-18)26-17(6)23-22(25)24-21-16(5)8-7-9-20(21)15(3)4/h7-15,17H,1-6H3,(H2,23,24,25)
InChIKeyYSSWWMQICNRSRN-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.79
Rot. Bonds6

About 1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea

1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea (PubChem CID 108880470) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
PubChem CID108880470
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCc1cccc(C(C)C)c1NC(=O)NC(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C22H30N2O2/c1-14(2)18-10-12-19(13-11-18)26-17(6)23-22(25)24-21-16(5)8-7-9-20(21)15(3)4/h7-15,17H,1-6H3,(H2,23,24,25)
InChIKeyYSSWWMQICNRSRN-UHFFFAOYSA-N
XLogP5.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-propan-2-ylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108880547
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
CID 47195278
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75691217
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3839296
1-[1-(4-chlorophenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108879801
3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 81085361
2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 132760693
(E)-N-(2-methyl-6-propan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1352164
2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 53266192

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea (CID 108880470) is 1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea is Cc1cccc(C(C)C)c1NC(=O)NC(C)Oc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is YSSWWMQICNRSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-14(2)18-10-12-19(13-11-18)26-17(6)23-22(25)24-21-16(5)8-7-9-20(21)15(3)4/h7-15,17H,1-6H3,(H2,23,24,25).
What are the key properties of 1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 354.49 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 108880470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).