1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea

C16H26N2O2 — CID 47392400

IUPAC1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea
SMILESCCC(C)Oc1cccc(NC(=O)NCCC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-13(4)20-15-8-6-7-14(11-15)18-16(19)17-10-9-12(2)3/h6-8,11-13H,5,9-10H2,1-4H3,(H2,17,18,19)
InChIKeyZTYYLNHKAFEDPV-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.03
Rot. Bonds7

About 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea

1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea (PubChem CID 47392400) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea
PubChem CID47392400
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea
SMILESCCC(C)Oc1cccc(NC(=O)NCCC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-13(4)20-15-8-6-7-14(11-15)18-16(19)17-10-9-12(2)3/h6-8,11-13H,5,9-10H2,1-4H3,(H2,17,18,19)
InChIKeyZTYYLNHKAFEDPV-UHFFFAOYSA-N
XLogP4.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47201851
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea
CID 47392478
1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea
CID 111336903
1-(3-aminopentyl)-3-(3-methoxyphenyl)urea
CID 113498087
ethyl 3-(3-methylbutylcarbamoylamino)benzoate
CID 47221049
2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62329609
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703
3-(3-butan-2-yloxyanilino)-N-ethylpropanamide
CID 62327713
3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17149831
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 97316852
2-amino-N-(3-butan-2-yloxyphenyl)pentanamide
CID 55059966

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea?
The IUPAC name of 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea (CID 47392400) is 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea?
The canonical SMILES for 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea is CCC(C)Oc1cccc(NC(=O)NCCC(C)C)c1.
What is the InChIKey of 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea?
The InChIKey is ZTYYLNHKAFEDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-13(4)20-15-8-6-7-14(11-15)18-16(19)17-10-9-12(2)3/h6-8,11-13H,5,9-10H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea?
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea has a molecular weight of 278.40 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea is sourced from PubChem (CID 47392400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).