1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea

C15H24N2O2S — CID 47514994

IUPAC1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea
SMILESCCC(C)Oc1cccc(NC(=S)NC(C)COC)c1
InChIInChI=1S/C15H24N2O2S/c1-5-12(3)19-14-8-6-7-13(9-14)17-15(20)16-11(2)10-18-4/h6-9,11-12H,5,10H2,1-4H3,(H2,16,17,20)
InChIKeyXOJCZKCKBAQUQF-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.19
Rot. Bonds7

About 1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea

1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea (PubChem CID 47514994) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea.

Molecular Properties

Compound Name1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea
PubChem CID47514994
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea
SMILESCCC(C)Oc1cccc(NC(=S)NC(C)COC)c1
InChIInChI=1S/C15H24N2O2S/c1-5-12(3)19-14-8-6-7-13(9-14)17-15(20)16-11(2)10-18-4/h6-9,11-12H,5,10H2,1-4H3,(H2,16,17,20)
InChIKeyXOJCZKCKBAQUQF-UHFFFAOYSA-N
XLogP3.19
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3-butan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17161719
N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide
CID 17161721
3-butan-2-yloxy-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17170066
1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea
CID 133174482
3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 17150032
1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea
CID 100579625
1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea
CID 115570487
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
4-butan-2-yloxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154943
1-(3-methoxyphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 95045491
3-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-N-ethylbenzamide
CID 17231000
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea
CID 47392478

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea?
The IUPAC name of 1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea (CID 47514994) is 1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea.
What is the SMILES notation for 1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea?
The canonical SMILES for 1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea is CCC(C)Oc1cccc(NC(=S)NC(C)COC)c1.
What is the InChIKey of 1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea?
The InChIKey is XOJCZKCKBAQUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-12(3)19-14-8-6-7-13(9-14)17-15(20)16-11(2)10-18-4/h6-9,11-12H,5,10H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea?
1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea has a molecular weight of 296.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea is sourced from PubChem (CID 47514994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).