1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea

C17H28N2O2 — CID 110890372

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C17H28N2O2/c1-6-13(10-20)18-17(21)19-16-14(11(2)3)8-7-9-15(16)12(4)5/h7-9,11-13,20H,6,10H2,1-5H3,(H2,18,19,21)
InChIKeyAMNQLVALQLAQNI-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.83
Rot. Bonds6

About 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea

1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 110890372) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID110890372
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C17H28N2O2/c1-6-13(10-20)18-17(21)19-16-14(11(2)3)8-7-9-15(16)12(4)5/h7-9,11-13,20H,6,10H2,1-5H3,(H2,18,19,21)
InChIKeyAMNQLVALQLAQNI-UHFFFAOYSA-N
XLogP3.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
CID 47195278
1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 21348423
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
1-[2,6-di(propan-2-yl)phenyl]-3-dodecan-2-ylurea
CID 141032891
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395
1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110908511
1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 3588413
N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide
CID 108958316
1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea
CID 108889196
1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
CID 111111753
ethyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]hexanoate
CID 3779877

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea (CID 110890372) is 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is AMNQLVALQLAQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-13(10-20)18-17(21)19-16-14(11(2)3)8-7-9-15(16)12(4)5/h7-9,11-13,20H,6,10H2,1-5H3,(H2,18,19,21).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea?
1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 292.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 110890372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).