1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea

C14H22N2O2 — CID 47216205

IUPAC1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)NC(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)16-14(17)15-9-12-5-7-13(8-6-12)18-11(3)4/h5-8,10-11H,9H2,1-4H3,(H2,15,16,17)
InChIKeyYKZABCOMVDXESD-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.68
Rot. Bonds5

About 1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea

1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea (PubChem CID 47216205) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
PubChem CID47216205
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)NC(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)16-14(17)15-9-12-5-7-13(8-6-12)18-11(3)4/h5-8,10-11H,9H2,1-4H3,(H2,15,16,17)
InChIKeyYKZABCOMVDXESD-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47024767
1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea
CID 47218923
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 60544210
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
1-(3-hydroxy-4-methylpentyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 111504474
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54840298
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081
N-[(4-propan-2-yloxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167853
2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 111331803

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea (CID 47216205) is 1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea is CC(C)NC(=O)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of 1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is YKZABCOMVDXESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)16-14(17)15-9-12-5-7-13(8-6-12)18-11(3)4/h5-8,10-11H,9H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea?
1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 250.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 47216205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).