1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea

C17H28N2O3 — CID 111969776

IUPAC1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)Nc1ccc(OC(C)(C)C)cc1)C(C)C
InChIInChI=1S/C17H28N2O3/c1-12(2)19(11-13(3)20)16(21)18-14-7-9-15(10-8-14)22-17(4,5)6/h7-10,12-13,20H,11H2,1-6H3,(H,18,21)
InChIKeyBDRHORYFXZMFGB-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.49
Rot. Bonds5

About 1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea

1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea (PubChem CID 111969776) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea
PubChem CID111969776
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)Nc1ccc(OC(C)(C)C)cc1)C(C)C
InChIInChI=1S/C17H28N2O3/c1-12(2)19(11-13(3)20)16(21)18-14-7-9-15(10-8-14)22-17(4,5)6/h7-10,12-13,20H,11H2,1-6H3,(H,18,21)
InChIKeyBDRHORYFXZMFGB-UHFFFAOYSA-N
XLogP3.49
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea
CID 111754632
3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111112642
1-(2-hydroxypropyl)-3-(4-methylsulfinylphenyl)-1-propan-2-ylurea
CID 111969781
1-(2-hydroxypropyl)-3-[4-(methylsulfanylmethyl)phenyl]-1-propan-2-ylurea
CID 111969735
3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111969725
2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide
CID 110481366
1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea
CID 111969731
(2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride
CID 119305650
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 67274992
2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
CID 80549715
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-phenylacetamide
CID 21043279
1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea
CID 55151509

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea?
The IUPAC name of 1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea (CID 111969776) is 1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea?
The canonical SMILES for 1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea is CC(O)CN(C(=O)Nc1ccc(OC(C)(C)C)cc1)C(C)C.
What is the InChIKey of 1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea?
The InChIKey is BDRHORYFXZMFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12(2)19(11-13(3)20)16(21)18-14-7-9-15(10-8-14)22-17(4,5)6/h7-10,12-13,20H,11H2,1-6H3,(H,18,21).
What are the key properties of 1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea?
1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea has a molecular weight of 308.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea is sourced from PubChem (CID 111969776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).