3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea

C18H30N2O2 — CID 111754195

IUPAC3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C18H30N2O2/c1-12(2)14-9-8-10-15(13(3)4)16(14)19-17(21)20(7)11-18(5,6)22/h8-10,12-13,22H,11H2,1-7H3,(H,19,21)
InChIKeyZVCUWRBSLQCCLO-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.17
Rot. Bonds5

About 3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea

3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea (PubChem CID 111754195) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea.

Molecular Properties

Compound Name3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
PubChem CID111754195
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C18H30N2O2/c1-12(2)14-9-8-10-15(13(3)4)16(14)19-17(21)20(7)11-18(5,6)22/h8-10,12-13,22H,11H2,1-7H3,(H,19,21)
InChIKeyZVCUWRBSLQCCLO-UHFFFAOYSA-N
XLogP4.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 43135784
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide
CID 108951516
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea
CID 111754633
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid
CID 104902445
2-[acetyl(propan-2-yl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113158268
1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 86987050
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 40703481
2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid
CID 170188203
1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea
CID 97075992
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea (CID 111754195) is 3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea.
What is the SMILES notation for 3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The canonical SMILES for 3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea is CC(C)c1cccc(C(C)C)c1NC(=O)N(C)CC(C)(C)O.
What is the InChIKey of 3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The InChIKey is ZVCUWRBSLQCCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-12(2)14-9-8-10-15(13(3)4)16(14)19-17(21)20(7)11-18(5,6)22/h8-10,12-13,22H,11H2,1-7H3,(H,19,21).
What are the key properties of 3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea has a molecular weight of 306.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea is sourced from PubChem (CID 111754195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).