1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea

C16H26N2O3 — CID 111754632

IUPAC1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(O)CN(C(=O)Nc1ccc(OC(C)C)cc1)C(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)18(10-13(5)19)16(20)17-14-6-8-15(9-7-14)21-12(3)4/h6-9,11-13,19H,10H2,1-5H3,(H,17,20)
InChIKeyPPVCULSNXIZAES-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.10
Rot. Bonds6

About 1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea

1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea (PubChem CID 111754632) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea
PubChem CID111754632
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(O)CN(C(=O)Nc1ccc(OC(C)C)cc1)C(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)18(10-13(5)19)16(20)17-14-6-8-15(9-7-14)21-12(3)4/h6-9,11-13,19H,10H2,1-5H3,(H,17,20)
InChIKeyPPVCULSNXIZAES-UHFFFAOYSA-N
XLogP3.10
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea
CID 111969776
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
2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid
CID 43318594
3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113115249
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea
CID 111754633
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea
CID 111969731
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 43616366

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea (CID 111754632) is 1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea is CC(O)CN(C(=O)Nc1ccc(OC(C)C)cc1)C(C)C.
What is the InChIKey of 1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea?
The InChIKey is PPVCULSNXIZAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)18(10-13(5)19)16(20)17-14-6-8-15(9-7-14)21-12(3)4/h6-9,11-13,19H,10H2,1-5H3,(H,17,20).
What are the key properties of 1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea?
1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea has a molecular weight of 294.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 111754632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).