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

C16H26N2O2 — CID 21348423

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C16H26N2O2/c1-10(2)13-7-6-8-14(11(3)4)15(13)18-16(20)17-12(5)9-19/h6-8,10-12,19H,9H2,1-5H3,(H2,17,18,20)
InChIKeyYUGJPHJKISADDD-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.44
Rot. Bonds5

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

1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 21348423) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID21348423
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C16H26N2O2/c1-10(2)13-7-6-8-14(11(3)4)15(13)18-16(20)17-12(5)9-19/h6-8,10-12,19H,9H2,1-5H3,(H2,17,18,20)
InChIKeyYUGJPHJKISADDD-UHFFFAOYSA-N
XLogP3.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890372
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[2,6-di(propan-2-yl)phenyl]-3-dodecan-2-ylurea
CID 141032891
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395
1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 3588413
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3839296
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
CID 47195278
methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate
CID 162651561
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide
CID 108958316

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea (CID 21348423) is 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea is CC(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-hydroxypropan-2-yl)urea?
The InChIKey is YUGJPHJKISADDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(2)13-7-6-8-14(11(3)4)15(13)18-16(20)17-12(5)9-19/h6-8,10-12,19H,9H2,1-5H3,(H2,17,18,20).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea?
1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 278.40 g/mol, XLogP of 3.44, 5 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-hydroxypropan-2-yl)urea is sourced from PubChem (CID 21348423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).