1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea

C23H32N2O2 — CID 3820122

IUPAC1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
SMILESCc1cccc(C(C)(C)C)c1NC(=O)NC(C)COc1c(C)cccc1C
InChIInChI=1S/C23H32N2O2/c1-15-10-9-13-19(23(5,6)7)20(15)25-22(26)24-18(4)14-27-21-16(2)11-8-12-17(21)3/h8-13,18H,14H2,1-7H3,(H2,24,25,26)
InChIKeyFUBCQOPEGCNFSS-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.50
Rot. Bonds5

About 1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea

1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea (PubChem CID 3820122) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
PubChem CID3820122
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
SMILESCc1cccc(C(C)(C)C)c1NC(=O)NC(C)COc1c(C)cccc1C
InChIInChI=1S/C23H32N2O2/c1-15-10-9-13-19(23(5,6)7)20(15)25-22(26)24-18(4)14-27-21-16(2)11-8-12-17(21)3/h8-13,18H,14H2,1-7H3,(H2,24,25,26)
InChIKeyFUBCQOPEGCNFSS-UHFFFAOYSA-N
XLogP5.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.50
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-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea
CID 3871734
1-(2-methoxy-6-methylphenyl)-3-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]urea
CID 125168159
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
1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea
CID 67522114
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide
CID 3668905
2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide
CID 57406196

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea?
The IUPAC name of 1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea (CID 3820122) is 1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea.
What is the SMILES notation for 1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea?
The canonical SMILES for 1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea is Cc1cccc(C(C)(C)C)c1NC(=O)NC(C)COc1c(C)cccc1C.
What is the InChIKey of 1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea?
The InChIKey is FUBCQOPEGCNFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-15-10-9-13-19(23(5,6)7)20(15)25-22(26)24-18(4)14-27-21-16(2)11-8-12-17(21)3/h8-13,18H,14H2,1-7H3,(H2,24,25,26).
What are the key properties of 1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea?
1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea has a molecular weight of 368.52 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea is sourced from PubChem (CID 3820122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).